(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine

C38H58N4 — CID 138498216

IUPAC(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine
SMILES[H]/N=C/C(CCC)=C(/CC)N(C)/C=C\C=C(/N=C)C(=C)/C=C\C=C(/C)CCCC/C(C=C)=C/C=C(\C)C1CCN(C)CC1
InChIInChI=1S/C38H58N4/c1-10-17-36(30-39)38(12-3)42(9)27-16-22-37(40-7)33(6)20-15-19-31(4)18-13-14-21-34(11-2)24-23-32(5)35-25-28-41(8)29-26-35/h11,15-16,19-20,22-24,27,30,35,39H,2,6-7,10,12-14,17-18,21,25-26,28-29H2,1,3-5,8-9H3/b20-15-,27-16-,31-19+,32-23+,34-24+,37-22-,38-36-,39-30+
InChIKeyCLASGCODIWTMIL-XIPNJNOXSA-N
MW570.91 g/mol
LogP10.15
Rot. Bonds19

About (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine

(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine (PubChem CID 138498216) has the molecular formula C38H58N4 and a molecular weight of 570.91 g/mol. Its IUPAC name is (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine
PubChem CID138498216
Molecular FormulaC38H58N4
Molecular Weight570.91 g/mol
Exact Mass570.47
IUPAC Name(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine
SMILES[H]/N=C/C(CCC)=C(/CC)N(C)/C=C\C=C(/N=C)C(=C)/C=C\C=C(/C)CCCC/C(C=C)=C/C=C(\C)C1CCN(C)CC1
InChIInChI=1S/C38H58N4/c1-10-17-36(30-39)38(12-3)42(9)27-16-22-37(40-7)33(6)20-15-19-31(4)18-13-14-21-34(11-2)24-23-32(5)35-25-28-41(8)29-26-35/h11,15-16,19-20,22-24,27,30,35,39H,2,6-7,10,12-14,17-18,21,25-26,28-29H2,1,3-5,8-9H3/b20-15-,27-16-,31-19+,32-23+,34-24+,37-22-,38-36-,39-30+
InChIKeyCLASGCODIWTMIL-XIPNJNOXSA-N
XLogP10.15
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.91
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine?
The IUPAC name of (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine (CID 138498216) is (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine.
What is the SMILES notation for (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine?
The canonical SMILES for (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine is [H]/N=C/C(CCC)=C(/CC)N(C)/C=C\C=C(/N=C)C(=C)/C=C\C=C(/C)CCCC/C(C=C)=C/C=C(\C)C1CCN(C)CC1.
What is the InChIKey of (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine?
The InChIKey is CLASGCODIWTMIL-XIPNJNOXSA-N. The full InChI is InChI=1S/C38H58N4/c1-10-17-36(30-39)38(12-3)42(9)27-16-22-37(40-7)33(6)20-15-19-31(4)18-13-14-21-34(11-2)24-23-32(5)35-25-28-41(8)29-26-35/h11,15-16,19-20,22-24,27,30,35,39H,2,6-7,10,12-14,17-18,21,25-26,28-29H2,1,3-5,8-9H3/b20-15-,27-16-,31-19+,32-23+,34-24+,37-22-,38-36-,39-30+.
What are the key properties of (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine?
(1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine has a molecular weight of 570.91 g/mol, XLogP of 10.15, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6Z,8E,14Z,16E)-14-ethenyl-N-[(Z)-4-methanimidoylhept-3-en-3-yl]-N,9-dimethyl-5-methylidene-4-(methylideneamino)-17-(1-methylpiperidin-4-yl)octadeca-1,3,6,8,14,16-hexaen-1-amine is sourced from PubChem (CID 138498216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).