ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine

C40H57N — CID 144827562

IUPACethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine
SMILESC=C/C(=C1/Cc2cc(C(=C)C)cc(C(C)(C)C(C)N/C=C\C=C3\Cc4cccc(C)c4C3)c2C1)C(C)C.CC.CC
InChIInChI=1S/C36H45N.2C2H6/c1-10-32(24(4)5)31-20-30-19-29(23(2)3)22-35(34(30)21-31)36(8,9)26(7)37-16-12-14-27-17-28-15-11-13-25(6)33(28)18-27;2*1-2/h10-16,19,22,24,26,37H,1-2,17-18,20-21H2,3-9H3;2*1-2H3/b16-12-,27-14-,32-31+;;
InChIKeyBVNCUIWCGSUSPM-KPHATAPRSA-N
MW551.90 g/mol
LogP10.81
Rot. Bonds8

About ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine

ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine (PubChem CID 144827562) has the molecular formula C40H57N and a molecular weight of 551.90 g/mol. Its IUPAC name is ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine
PubChem CID144827562
Molecular FormulaC40H57N
Molecular Weight551.90 g/mol
Exact Mass551.45
IUPAC Nameethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine
SMILESC=C/C(=C1/Cc2cc(C(=C)C)cc(C(C)(C)C(C)N/C=C\C=C3\Cc4cccc(C)c4C3)c2C1)C(C)C.CC.CC
InChIInChI=1S/C36H45N.2C2H6/c1-10-32(24(4)5)31-20-30-19-29(23(2)3)22-35(34(30)21-31)36(8,9)26(7)37-16-12-14-27-17-28-15-11-13-25(6)33(28)18-27;2*1-2/h10-16,19,22,24,26,37H,1-2,17-18,20-21H2,3-9H3;2*1-2H3/b16-12-,27-14-,32-31+;;
InChIKeyBVNCUIWCGSUSPM-KPHATAPRSA-N
XLogP10.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.90
LogP ≤ 510.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine?
The IUPAC name of ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine (CID 144827562) is ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine.
What is the SMILES notation for ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine?
The canonical SMILES for ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine is C=C/C(=C1/Cc2cc(C(=C)C)cc(C(C)(C)C(C)N/C=C\C=C3\Cc4cccc(C)c4C3)c2C1)C(C)C.CC.CC.
What is the InChIKey of ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine?
The InChIKey is BVNCUIWCGSUSPM-KPHATAPRSA-N. The full InChI is InChI=1S/C36H45N.2C2H6/c1-10-32(24(4)5)31-20-30-19-29(23(2)3)22-35(34(30)21-31)36(8,9)26(7)37-16-12-14-27-17-28-15-11-13-25(6)33(28)18-27;2*1-2/h10-16,19,22,24,26,37H,1-2,17-18,20-21H2,3-9H3;2*1-2H3/b16-12-,27-14-,32-31+;;.
What are the key properties of ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine?
ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine has a molecular weight of 551.90 g/mol, XLogP of 10.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(Z,3Z)-3-(4-methyl-1,3-dihydroinden-2-ylidene)prop-1-enyl]-3-[(2Z)-2-(4-methylpent-1-en-3-ylidene)-6-prop-1-en-2-yl-1,3-dihydroinden-4-yl]butan-2-amine is sourced from PubChem (CID 144827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).