(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine

C23H41NO — CID 142550059

IUPAC(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
SMILESC=CCC/C=C(\C)CN(CCCCCCC)C(/C=C\C(C)OC)=C/C
InChIInChI=1S/C23H41NO/c1-7-10-12-13-15-19-24(20-21(4)16-14-11-8-2)23(9-3)18-17-22(5)25-6/h8-9,16-18,22H,2,7,10-15,19-20H2,1,3-6H3/b18-17-,21-16+,23-9+
InChIKeyFPDPSNRKPAHZHU-QYRWSAIFSA-N
MW347.59 g/mol
LogP6.67
Rot. Bonds15

About (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine

(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine (PubChem CID 142550059) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
PubChem CID142550059
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
SMILESC=CCC/C=C(\C)CN(CCCCCCC)C(/C=C\C(C)OC)=C/C
InChIInChI=1S/C23H41NO/c1-7-10-12-13-15-19-24(20-21(4)16-14-11-8-2)23(9-3)18-17-22(5)25-6/h8-9,16-18,22H,2,7,10-15,19-20H2,1,3-6H3/b18-17-,21-16+,23-9+
InChIKeyFPDPSNRKPAHZHU-QYRWSAIFSA-N
XLogP6.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4S)-N-[4-[(3S)-3,5-difluorocyclohexen-1-yl]but-1-en-2-yl]-4-methoxy-N-prop-2-enylhepta-2,6-dien-1-amine
CID 122647281
(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine
CID 143683527
1-(5-Methoxy-6-methyl-3-prop-1-en-2-yldodeca-1,3,5-trien-2-yl)-2-methyl-4-methylidenepyrrolidine
CID 123441839
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
N-(3,7-dimethyloct-6-enyl)-4-methoxy-N-octylcyclohexa-1,5-dien-1-amine
CID 138518681
(2E,4Z)-N-hexyl-6-iodo-6-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexa-2,4-dien-3-amine
CID 138519088
(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
CID 138519123
N-(cyclohexylmethyl)-4-methoxy-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
CID 138519182
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-N-nonan-2-ylcyclohexa-1,5-dien-1-amine
CID 138519271
N-(3,7-dimethyloct-6-enyl)-N-(2,2-dimethylpropyl)-4-methoxycyclohexa-1,5-dien-1-amine
CID 138519709
(3E,7Z)-N-ethenyl-5-methoxy-4,7-dimethyl-6-methylidene-N-[(Z)-prop-1-enyl]nona-1,3,7-trien-2-amine
CID 141913307
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
CID 142549968

Frequently Asked Questions

What is the IUPAC name of (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine (CID 142550059) is (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine is C=CCC/C=C(\C)CN(CCCCCCC)C(/C=C\C(C)OC)=C/C.
What is the InChIKey of (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine?
The InChIKey is FPDPSNRKPAHZHU-QYRWSAIFSA-N. The full InChI is InChI=1S/C23H41NO/c1-7-10-12-13-15-19-24(20-21(4)16-14-11-8-2)23(9-3)18-17-22(5)25-6/h8-9,16-18,22H,2,7,10-15,19-20H2,1,3-6H3/b18-17-,21-16+,23-9+.
What are the key properties of (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine?
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine has a molecular weight of 347.59 g/mol, XLogP of 6.67, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 142550059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).