1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine

C17H30N2O — CID 143623116

IUPAC1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C(=C(\C)CC)C(C)N1CCC(N)CC1)OC
InChIInChI=1S/C17H30N2O/c1-6-13(2)17(8-7-14(3)20-5)15(4)19-11-9-16(18)10-12-19/h7-8,15-16H,3,6,9-12,18H2,1-2,4-5H3/b8-7-,17-13+
InChIKeyVUDCPPXSBYXSJD-FHTJCBKVSA-N
MW278.44 g/mol
LogP3.24
Rot. Bonds6

About 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine

1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine (PubChem CID 143623116) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
PubChem CID143623116
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\C(=C(\C)CC)C(C)N1CCC(N)CC1)OC
InChIInChI=1S/C17H30N2O/c1-6-13(2)17(8-7-14(3)20-5)15(4)19-11-9-16(18)10-12-19/h7-8,15-16H,3,6,9-12,18H2,1-2,4-5H3/b8-7-,17-13+
InChIKeyVUDCPPXSBYXSJD-FHTJCBKVSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,3-Dimethyl-4-prop-2-enoxycyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
CID 89293955
3-ethylidene-6-methoxy-N-methyl-2-piperidin-1-ylhept-4-en-1-amine
CID 123983293
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
CID 142939394
1-[1-(3-Methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
CID 142939410
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
CID 143024917
ethane;1-ethyl-N-[2-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]oxyprop-2-enyl]piperidin-4-amine
CID 143586095
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
CID 143615637
1-[(Z,3E)-3-butan-2-ylidene-7-methoxyoct-5-en-2-yl]piperidin-4-amine;ethane
CID 143623246
(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine
CID 143996935
N-(cyclohexa-1,5-dien-1-ylmethyl)-1-(3-methoxypropyl)piperidin-4-amine
CID 144922631

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine?
The IUPAC name of 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine (CID 143623116) is 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine is C=C(/C=C\C(=C(\C)CC)C(C)N1CCC(N)CC1)OC.
What is the InChIKey of 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine?
The InChIKey is VUDCPPXSBYXSJD-FHTJCBKVSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-13(2)17(8-7-14(3)20-5)15(4)19-11-9-16(18)10-12-19/h7-8,15-16H,3,6,9-12,18H2,1-2,4-5H3/b8-7-,17-13+.
What are the key properties of 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine?
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine is sourced from PubChem (CID 143623116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).