4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine

C16H28N2 — CID 143682311

IUPAC4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
SMILESC=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1
InChIInChI=1S/C16H28N2/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13/h6-7,13-15H,4-5,8-11,17H2,1-3H3/b16-6-,18-7+
InChIKeyQUFUFQYQKCERHE-FAKNLOEVSA-N
MW248.41 g/mol
LogP4.08
Rot. Bonds5

About 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine

4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine (PubChem CID 143682311) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
PubChem CID143682311
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
SMILESC=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1
InChIInChI=1S/C16H28N2/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13/h6-7,13-15H,4-5,8-11,17H2,1-3H3/b16-6-,18-7+
InChIKeyQUFUFQYQKCERHE-FAKNLOEVSA-N
XLogP4.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
CID 123932490
2-[(2Z,3Z)-3-ethyl-2-ethylidene-5-methylhexa-3,5-dienyl]-5-(ethylideneamino)-4,6-dimethylcyclohexa-2,4-dien-1-amine
CID 138646565
4-[(E,2E)-4-[butyl(ethyl)amino]-2-(2H-pyrazin-3-ylidene)hex-3-enyl]-N-propan-2-ylcyclohexan-1-amine
CID 139420006
2,3-diethyl-1-[(1E,3Z)-3-(ethylideneamino)hexa-1,3,5-trienyl]cyclohexan-1-amine
CID 143571372
2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
CID 143682310
4-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651
(5S)-4-[(1R)-1-amino-2-ethyliminoethyl]-5-methylcyclohexa-1,3-dien-1-amine
CID 163708550
(Z)-3-methanimidoyl-4-[4-(4-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyridin-3-yl]but-2-en-2-amine
CID 166837775
(2Z,4E,6Z)-6-[1-[4-(1-aminoethyl)cyclohexyl]ethylideneamino]-3-methanimidoyl-4,7,8-trimethyldeca-2,4,6,8,9-pentaen-2-amine
CID 176531143
3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
CID 143346853
(3Z,5Z,6Z)-6-(cyclohexylmethyl)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 177018977

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine (CID 143682311) is 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine is C=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The InChIKey is QUFUFQYQKCERHE-FAKNLOEVSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13/h6-7,13-15H,4-5,8-11,17H2,1-3H3/b16-6-,18-7+.
What are the key properties of 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 143682311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).