[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine

C16H30N2 — CID 54980477

IUPAC[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-2-3-13-6-8-16(12-17,9-7-13)18-11-14-4-5-15(18)10-14/h13-15H,2-12,17H2,1H3
InChIKeyDMRYBHSLPADOJC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds4

About [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine

[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 54980477) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID54980477
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-2-3-13-6-8-16(12-17,9-7-13)18-11-14-4-5-15(18)10-14/h13-15H,2-12,17H2,1H3
InChIKeyDMRYBHSLPADOJC-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine (CID 54980477) is [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(N2CC3CCC2C3)CC1.
What is the InChIKey of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is DMRYBHSLPADOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-3-13-6-8-16(12-17,9-7-13)18-11-14-4-5-15(18)10-14/h13-15H,2-12,17H2,1H3.
What are the key properties of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine?
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 54980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).