(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine

C20H31N — CID 134258002

IUPAC(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine
SMILESCC=CC(/C=C(C)\C(C)=N/C(C)=C/C=C\C)/C(C)=C\CC
InChIInChI=1S/C20H31N/c1-8-11-14-18(6)21-19(7)17(5)15-20(13-10-3)16(4)12-9-2/h8,10-15,20H,9H2,1-7H3/b11-8-,13-10?,16-12-,17-15-,18-14+,21-19-
InChIKeyBCGNNUMTCUOQTA-JYPBPAGCSA-N
MW285.48 g/mol
LogP6.42
Rot. Bonds7

About (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine

(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine (PubChem CID 134258002) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine.

Molecular Properties

Compound Name(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine
PubChem CID134258002
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine
SMILESCC=CC(/C=C(C)\C(C)=N/C(C)=C/C=C\C)/C(C)=C\CC
InChIInChI=1S/C20H31N/c1-8-11-14-18(6)21-19(7)17(5)15-20(13-10-3)16(4)12-9-2/h8,10-15,20H,9H2,1-7H3/b11-8-,13-10?,16-12-,17-15-,18-14+,21-19-
InChIKeyBCGNNUMTCUOQTA-JYPBPAGCSA-N
XLogP6.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine?
The IUPAC name of (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine (CID 134258002) is (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine.
What is the SMILES notation for (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine?
The canonical SMILES for (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine is CC=CC(/C=C(C)\C(C)=N/C(C)=C/C=C\C)/C(C)=C\CC.
What is the InChIKey of (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine?
The InChIKey is BCGNNUMTCUOQTA-JYPBPAGCSA-N. The full InChI is InChI=1S/C20H31N/c1-8-11-14-18(6)21-19(7)17(5)15-20(13-10-3)16(4)12-9-2/h8,10-15,20H,9H2,1-7H3/b11-8-,13-10?,16-12-,17-15-,18-14+,21-19-.
What are the key properties of (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine?
(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine has a molecular weight of 285.48 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine is sourced from PubChem (CID 134258002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).