(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine

C45H69N2P — CID 144827636

IUPAC(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine
SMILESC=C(/C=C(\C)P(C)c1c(-c2ccccc2)ccc(C(C)C)c1C)C(C)(C)C.CC.CC.CC1(C)/C(=C/C=C\N)Cc2ccccc21.CN
InChIInChI=1S/C26H35P.C14H17N.2C2H6.CH5N/c1-18(2)23-15-16-24(22-13-11-10-12-14-22)25(21(23)5)27(9)20(4)17-19(3)26(6,7)8;1-14(2)12(7-5-9-15)10-11-6-3-4-8-13(11)14;3*1-2/h10-18H,3H2,1-2,4-9H3;3-9H,10,15H2,1-2H3;2*1-2H3;2H2,1H3/b20-17+;9-5-,12-7+;;;
InChIKeyFKCHOCNSJVGMBZ-FSKYYCHDSA-N
MW669.04 g/mol
LogP12.57
Rot. Bonds6

About (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine

(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine (PubChem CID 144827636) has the molecular formula C45H69N2P and a molecular weight of 669.04 g/mol. Its IUPAC name is (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine.

Molecular Properties

Compound Name(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine
PubChem CID144827636
Molecular FormulaC45H69N2P
Molecular Weight669.04 g/mol
Exact Mass668.52
IUPAC Name(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine
SMILESC=C(/C=C(\C)P(C)c1c(-c2ccccc2)ccc(C(C)C)c1C)C(C)(C)C.CC.CC.CC1(C)/C(=C/C=C\N)Cc2ccccc21.CN
InChIInChI=1S/C26H35P.C14H17N.2C2H6.CH5N/c1-18(2)23-15-16-24(22-13-11-10-12-14-22)25(21(23)5)27(9)20(4)17-19(3)26(6,7)8;1-14(2)12(7-5-9-15)10-11-6-3-4-8-13(11)14;3*1-2/h10-18H,3H2,1-2,4-9H3;3-9H,10,15H2,1-2H3;2*1-2H3;2H2,1H3/b20-17+;9-5-,12-7+;;;
InChIKeyFKCHOCNSJVGMBZ-FSKYYCHDSA-N
XLogP12.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.04
LogP ≤ 512.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine with MolForge

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Related Compounds

(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole
CID 144827605
(2E)-2-[(Z)-3-fluoro-2-methylprop-2-enylidene]-3,3-dimethyl-1H-indene
CID 144645431
(2E)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethanimine
CID 144827642
(2E)-3,3-dimethyl-2-[(2Z)-penta-2,4-dienylidene]-1H-indene;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole
CID 142356733
butane;ethane;(2E)-2-[(E)-2-ethynylpent-2-enylidene]-3,3-dimethyl-1H-indene;(Z,3E)-3-[3-(4-methylphenyl)-3-phenyl-1H-cyclopenta[b]naphthalen-2-ylidene]prop-1-en-1-amine;(3E)-penta-1,3-diene;propane
CID 144857302
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
1-(amino-butan-2-yl-fluoro-λ4-sulfanyl)-2-methyl-4-phenyl-3-[(3E)-2,3,5-trimethylhexa-3,5-dien-2-yl]benzene;5,5,6-trimethylbenzo[7]annulene
CID 144827646
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
3,3-dimethyl-2-methylidene-1H-indene;ethane
CID 143953753
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
(2E)-2-[(Z)-but-2-enylidene]-3-methyl-3-[(2E)-5-methylhepta-2,6-dien-2-yl]-1H-indene;methane;toluene
CID 143363633
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine?
The IUPAC name of (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine (CID 144827636) is (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine.
What is the SMILES notation for (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine?
The canonical SMILES for (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine is C=C(/C=C(\C)P(C)c1c(-c2ccccc2)ccc(C(C)C)c1C)C(C)(C)C.CC.CC.CC1(C)/C(=C/C=C\N)Cc2ccccc21.CN.
What is the InChIKey of (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine?
The InChIKey is FKCHOCNSJVGMBZ-FSKYYCHDSA-N. The full InChI is InChI=1S/C26H35P.C14H17N.2C2H6.CH5N/c1-18(2)23-15-16-24(22-13-11-10-12-14-22)25(21(23)5)27(9)20(4)17-19(3)26(6,7)8;1-14(2)12(7-5-9-15)10-11-6-3-4-8-13(11)14;3*1-2/h10-18H,3H2,1-2,4-9H3;3-9H,10,15H2,1-2H3;2*1-2H3;2H2,1H3/b20-17+;9-5-,12-7+;;;.
What are the key properties of (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine?
(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine has a molecular weight of 669.04 g/mol, XLogP of 12.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine is sourced from PubChem (CID 144827636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).