N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine

C18H34ClN — CID 63446738

IUPACN-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
SMILESClCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34ClN/c19-15-9-1-2-10-16-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18H,1-16H2
InChIKeyUGCLBZXHADRDRB-UHFFFAOYSA-N
MW299.93 g/mol
LogP5.75
Rot. Bonds8

About N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine

N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine (PubChem CID 63446738) has the molecular formula C18H34ClN and a molecular weight of 299.93 g/mol. Its IUPAC name is N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
PubChem CID63446738
Molecular FormulaC18H34ClN
Molecular Weight299.93 g/mol
Exact Mass299.24
IUPAC NameN-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
SMILESClCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34ClN/c19-15-9-1-2-10-16-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18H,1-16H2
InChIKeyUGCLBZXHADRDRB-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.93
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine?
The IUPAC name of N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine (CID 63446738) is N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine is ClCCCCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine?
The InChIKey is UGCLBZXHADRDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34ClN/c19-15-9-1-2-10-16-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18H,1-16H2.
What are the key properties of N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine?
N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine has a molecular weight of 299.93 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 63446738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).