(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine

C27H33N — CID 145021286

IUPAC(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=CC1=C(/C=C\C)c2cc(CN/C=C\C=C/C(=C)/C=C\C)c(C)cc2C1(C)C
InChIInChI=1S/C27H33N/c1-8-13-20(4)15-11-12-16-28-19-22-18-24-23(14-9-2)25(10-3)27(6,7)26(24)17-21(22)5/h8-18,28H,3-4,19H2,1-2,5-7H3/b13-8-,14-9-,15-11-,16-12-
InChIKeyYXNKRKRSQGZJLQ-YDNYZWCTSA-N
MW371.57 g/mol
LogP7.09
Rot. Bonds8

About (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine

(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine (PubChem CID 145021286) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine
PubChem CID145021286
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC Name(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=CC1=C(/C=C\C)c2cc(CN/C=C\C=C/C(=C)/C=C\C)c(C)cc2C1(C)C
InChIInChI=1S/C27H33N/c1-8-13-20(4)15-11-12-16-28-19-22-18-24-23(14-9-2)25(10-3)27(6,7)26(24)17-21(22)5/h8-18,28H,3-4,19H2,1-2,5-7H3/b13-8-,14-9-,15-11-,16-12-
InChIKeyYXNKRKRSQGZJLQ-YDNYZWCTSA-N
XLogP7.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine with MolForge

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Related Compounds

2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
ethane;2-ethenyl-N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-amine
CID 153374290
5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 144559149
N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
CID 167210755
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]indene-5-thiol
CID 146669709
2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 145110857
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426280
N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 142541223
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine?
The IUPAC name of (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine (CID 145021286) is (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine.
What is the SMILES notation for (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine?
The canonical SMILES for (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine is C=CC1=C(/C=C\C)c2cc(CN/C=C\C=C/C(=C)/C=C\C)c(C)cc2C1(C)C.
What is the InChIKey of (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine?
The InChIKey is YXNKRKRSQGZJLQ-YDNYZWCTSA-N. The full InChI is InChI=1S/C27H33N/c1-8-13-20(4)15-11-12-16-28-19-22-18-24-23(14-9-2)25(10-3)27(6,7)26(24)17-21(22)5/h8-18,28H,3-4,19H2,1-2,5-7H3/b13-8-,14-9-,15-11-,16-12-.
What are the key properties of (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine?
(1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine has a molecular weight of 371.57 g/mol, XLogP of 7.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6Z)-N-[[2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]methyl]-5-methylideneocta-1,3,6-trien-1-amine is sourced from PubChem (CID 145021286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).