N-hexyl-3-propan-2-ylcyclohexan-1-amine

C15H31N — CID 107447898

IUPACN-hexyl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-7-11-16-15-10-8-9-14(12-15)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyLTDPQGHNWSISOM-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About N-hexyl-3-propan-2-ylcyclohexan-1-amine

N-hexyl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107447898) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-hexyl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hexyl-3-propan-2-ylcyclohexan-1-amine
PubChem CID107447898
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-hexyl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-7-11-16-15-10-8-9-14(12-15)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyLTDPQGHNWSISOM-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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 N-hexyl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-hexyl-3-propan-2-ylcyclohexan-1-amine (CID 107447898) is N-hexyl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-hexyl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-hexyl-3-propan-2-ylcyclohexan-1-amine is CCCCCCNC1CCCC(C(C)C)C1.
What is the InChIKey of N-hexyl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is LTDPQGHNWSISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-11-16-15-10-8-9-14(12-15)13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-hexyl-3-propan-2-ylcyclohexan-1-amine?
N-hexyl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107447898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).