2-cyclohexyl-N-pentylcyclohexan-1-amine

C17H33N — CID 43222547

IUPAC2-cyclohexyl-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h15-18H,2-14H2,1H3
InChIKeyROBSFVUHJUBNKK-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.91
Rot. Bonds6

About 2-cyclohexyl-N-pentylcyclohexan-1-amine

2-cyclohexyl-N-pentylcyclohexan-1-amine (PubChem CID 43222547) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-pentylcyclohexan-1-amine
PubChem CID43222547
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-cyclohexyl-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h15-18H,2-14H2,1H3
InChIKeyROBSFVUHJUBNKK-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-pentylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-pentylcyclohexan-1-amine (CID 43222547) is 2-cyclohexyl-N-pentylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-pentylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-pentylcyclohexan-1-amine is CCCCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-pentylcyclohexan-1-amine?
The InChIKey is ROBSFVUHJUBNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-3-9-14-18-17-13-8-7-12-16(17)15-10-5-4-6-11-15/h15-18H,2-14H2,1H3.
What are the key properties of 2-cyclohexyl-N-pentylcyclohexan-1-amine?
2-cyclohexyl-N-pentylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 43222547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).