N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine

C25H41N3 — CID 167178987

IUPACN-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine
SMILESC=C(NC1CCCCC1)C(=C)C(=C\C=C/C)/N=C(\C)CNC1CCCC(C)C1
InChIInChI=1S/C25H41N3/c1-6-7-16-25(21(4)22(5)28-23-13-9-8-10-14-23)27-20(3)18-26-24-15-11-12-19(2)17-24/h6-7,16,19,23-24,26,28H,4-5,8-15,17-18H2,1-3H3/b7-6-,25-16+,27-20+
InChIKeyQCVJOGRVQFDKEZ-VXIBKCAASA-N
MW383.62 g/mol
LogP6.07
Rot. Bonds9

About N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine

N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine (PubChem CID 167178987) has the molecular formula C25H41N3 and a molecular weight of 383.62 g/mol. Its IUPAC name is N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine
PubChem CID167178987
Molecular FormulaC25H41N3
Molecular Weight383.62 g/mol
Exact Mass383.33
IUPAC NameN-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine
SMILESC=C(NC1CCCCC1)C(=C)C(=C\C=C/C)/N=C(\C)CNC1CCCC(C)C1
InChIInChI=1S/C25H41N3/c1-6-7-16-25(21(4)22(5)28-23-13-9-8-10-14-23)27-20(3)18-26-24-15-11-12-19(2)17-24/h6-7,16,19,23-24,26,28H,4-5,8-15,17-18H2,1-3H3/b7-6-,25-16+,27-20+
InChIKeyQCVJOGRVQFDKEZ-VXIBKCAASA-N
XLogP6.07
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine (CID 167178987) is N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine is C=C(NC1CCCCC1)C(=C)C(=C\C=C/C)/N=C(\C)CNC1CCCC(C)C1.
What is the InChIKey of N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine?
The InChIKey is QCVJOGRVQFDKEZ-VXIBKCAASA-N. The full InChI is InChI=1S/C25H41N3/c1-6-7-16-25(21(4)22(5)28-23-13-9-8-10-14-23)27-20(3)18-26-24-15-11-12-19(2)17-24/h6-7,16,19,23-24,26,28H,4-5,8-15,17-18H2,1-3H3/b7-6-,25-16+,27-20+.
What are the key properties of N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine?
N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine has a molecular weight of 383.62 g/mol, XLogP of 6.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4E,6Z)-2-(cyclohexylamino)-3-methylideneocta-1,4,6-trien-4-yl]iminopropyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 167178987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).