2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine

C15H28N2 — CID 54980478

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CC3CCC2C3)C1
InChIInChI=1S/C15H28N2/c1-2-3-11-5-7-14(16)15(9-11)17-10-12-4-6-13(17)8-12/h11-15H,2-10,16H2,1H3
InChIKeyVFQZLZSUKZQTCF-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 54980478) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine
PubChem CID54980478
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CC3CCC2C3)C1
InChIInChI=1S/C15H28N2/c1-2-3-11-5-7-14(16)15(9-11)17-10-12-4-6-13(17)8-12/h11-15H,2-10,16H2,1H3
InChIKeyVFQZLZSUKZQTCF-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine (CID 54980478) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(N2CC3CCC2C3)C1.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is VFQZLZSUKZQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-11-5-7-14(16)15(9-11)17-10-12-4-6-13(17)8-12/h11-15H,2-10,16H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 54980478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).