[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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Related Compounds

[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
CID 63471950
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088275
[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592435
[1-(3-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 54932678
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79959160
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 102964786
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine
CID 114196334

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).