N-cyclohexylcyclohexanamine;hexan-1-amine

C18H38N2 — CID 158809778

IUPACN-cyclohexylcyclohexanamine;hexan-1-amine
SMILESC1CCC(NC2CCCCC2)CC1.CCCCCCN
InChIInChI=1S/C12H23N.C6H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7/h11-13H,1-10H2;2-7H2,1H3
InChIKeyIUNMDERMRDRVJG-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.77
Rot. Bonds6

About N-cyclohexylcyclohexanamine;hexan-1-amine

N-cyclohexylcyclohexanamine;hexan-1-amine (PubChem CID 158809778) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;hexan-1-amine.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;hexan-1-amine
PubChem CID158809778
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-cyclohexylcyclohexanamine;hexan-1-amine
SMILESC1CCC(NC2CCCCC2)CC1.CCCCCCN
InChIInChI=1S/C12H23N.C6H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7/h11-13H,1-10H2;2-7H2,1H3
InChIKeyIUNMDERMRDRVJG-UHFFFAOYSA-N
XLogP4.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;pentan-1-amine
CID 67995993
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497
N-methylcyclohexanamine;propan-1-amine
CID 159759460
heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652
N-dodecylcyclohexanamine
CID 3679395
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;hexan-1-amine?
The IUPAC name of N-cyclohexylcyclohexanamine;hexan-1-amine (CID 158809778) is N-cyclohexylcyclohexanamine;hexan-1-amine.
What is the SMILES notation for N-cyclohexylcyclohexanamine;hexan-1-amine?
The canonical SMILES for N-cyclohexylcyclohexanamine;hexan-1-amine is C1CCC(NC2CCCCC2)CC1.CCCCCCN.
What is the InChIKey of N-cyclohexylcyclohexanamine;hexan-1-amine?
The InChIKey is IUNMDERMRDRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C6H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7/h11-13H,1-10H2;2-7H2,1H3.
What are the key properties of N-cyclohexylcyclohexanamine;hexan-1-amine?
N-cyclohexylcyclohexanamine;hexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;hexan-1-amine is sourced from PubChem (CID 158809778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).