2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine

C25H40N2 — CID 143682310

IUPAC2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
SMILESC1=CC(C2CC2)=CCC1.C=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1
InChIInChI=1S/C16H28N2.C9H12/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13;1-2-4-8(5-3-1)9-6-7-9/h6-7,13-15H,4-5,8-11,17H2,1-3H3;2,4-5,9H,1,3,6-7H2/b16-6-,18-7+;
InChIKeyCEJDVUFXEOMXBM-OGWQUCPTSA-N
MW368.61 g/mol
LogP6.75
Rot. Bonds6

About 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine

2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine (PubChem CID 143682310) has the molecular formula C25H40N2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
PubChem CID143682310
Molecular FormulaC25H40N2
Molecular Weight368.61 g/mol
Exact Mass368.32
IUPAC Name2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
SMILESC1=CC(C2CC2)=CCC1.C=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1
InChIInChI=1S/C16H28N2.C9H12/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13;1-2-4-8(5-3-1)9-6-7-9/h6-7,13-15H,4-5,8-11,17H2,1-3H3;2,4-5,9H,1,3,6-7H2/b16-6-,18-7+;
InChIKeyCEJDVUFXEOMXBM-OGWQUCPTSA-N
XLogP6.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 56.75
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-(3-Cyclopropylbuta-1,3-dien-2-ylimino)-3-fluoro-1-(3-methylcyclohexa-2,4-dien-1-yl)pentan-1-amine
CID 154993320
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-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651
1-[3-Methyl-4-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]-3-[5-methyl-6-(1-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]iminoprop-1-en-1-amine
CID 173500307
4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
CID 143682311

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The IUPAC name of 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine (CID 143682310) is 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine is C1=CC(C2CC2)=CCC1.C=C(C(=C/C)/N=C/C)C(CC)C1CCC(N)CC1.
What is the InChIKey of 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
The InChIKey is CEJDVUFXEOMXBM-OGWQUCPTSA-N. The full InChI is InChI=1S/C16H28N2.C9H12/c1-5-15(12(4)16(6-2)18-7-3)13-8-10-14(17)11-9-13;1-2-4-8(5-3-1)9-6-7-9/h6-7,13-15H,4-5,8-11,17H2,1-3H3;2,4-5,9H,1,3,6-7H2/b16-6-,18-7+;.
What are the key properties of 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine?
2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine has a molecular weight of 368.61 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylcyclohexa-1,3-diene;4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 143682310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).