N-[(3E)-hexa-3,5-dienyl]cyclohexanamine

C12H21N — CID 59529053

IUPACN-[(3E)-hexa-3,5-dienyl]cyclohexanamine
SMILESC=C/C=C/CCNC1CCCCC1
InChIInChI=1S/C12H21N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-4,12-13H,1,5-11H2/b4-3+
InChIKeyDHWXWLVFVDCQTO-ONEGZZNKSA-N
MW179.31 g/mol
LogP3.04
Rot. Bonds5

About N-[(3E)-hexa-3,5-dienyl]cyclohexanamine

N-[(3E)-hexa-3,5-dienyl]cyclohexanamine (PubChem CID 59529053) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dienyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dienyl]cyclohexanamine
PubChem CID59529053
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(3E)-hexa-3,5-dienyl]cyclohexanamine
SMILESC=C/C=C/CCNC1CCCCC1
InChIInChI=1S/C12H21N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-4,12-13H,1,5-11H2/b4-3+
InChIKeyDHWXWLVFVDCQTO-ONEGZZNKSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-3,5-dienyl]cyclohexanamine?
The IUPAC name of N-[(3E)-hexa-3,5-dienyl]cyclohexanamine (CID 59529053) is N-[(3E)-hexa-3,5-dienyl]cyclohexanamine.
What is the SMILES notation for N-[(3E)-hexa-3,5-dienyl]cyclohexanamine?
The canonical SMILES for N-[(3E)-hexa-3,5-dienyl]cyclohexanamine is C=C/C=C/CCNC1CCCCC1.
What is the InChIKey of N-[(3E)-hexa-3,5-dienyl]cyclohexanamine?
The InChIKey is DHWXWLVFVDCQTO-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-4,12-13H,1,5-11H2/b4-3+.
What are the key properties of N-[(3E)-hexa-3,5-dienyl]cyclohexanamine?
N-[(3E)-hexa-3,5-dienyl]cyclohexanamine has a molecular weight of 179.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dienyl]cyclohexanamine is sourced from PubChem (CID 59529053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).