2-heptyl-4-propylcyclohexan-1-amine

C16H33N — CID 63403454

IUPAC2-heptyl-4-propylcyclohexan-1-amine
SMILESCCCCCCCC1CC(CCC)CCC1N
InChIInChI=1S/C16H33N/c1-3-5-6-7-8-10-15-13-14(9-4-2)11-12-16(15)17/h14-16H,3-13,17H2,1-2H3
InChIKeyNPARZXGLPXNMMH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.89
Rot. Bonds8

About 2-heptyl-4-propylcyclohexan-1-amine

2-heptyl-4-propylcyclohexan-1-amine (PubChem CID 63403454) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-heptyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-heptyl-4-propylcyclohexan-1-amine
PubChem CID63403454
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-heptyl-4-propylcyclohexan-1-amine
SMILESCCCCCCCC1CC(CCC)CCC1N
InChIInChI=1S/C16H33N/c1-3-5-6-7-8-10-15-13-14(9-4-2)11-12-16(15)17/h14-16H,3-13,17H2,1-2H3
InChIKeyNPARZXGLPXNMMH-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.89
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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Related Compounds

2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
CID 65097775
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410732
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
2-heptylcyclohexan-1-amine
CID 23132318
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-dodecylcyclohexan-1-amine
CID 63400047
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-heptyl-4-propylcyclohexan-1-amine (CID 63403454) is 2-heptyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-heptyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-heptyl-4-propylcyclohexan-1-amine is CCCCCCCC1CC(CCC)CCC1N.
What is the InChIKey of 2-heptyl-4-propylcyclohexan-1-amine?
The InChIKey is NPARZXGLPXNMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-6-7-8-10-15-13-14(9-4-2)11-12-16(15)17/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-heptyl-4-propylcyclohexan-1-amine?
2-heptyl-4-propylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63403454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).