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

C16H30N2 — CID 65088275

IUPAC[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
SMILESCC1(C)CCCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-15(2)6-3-7-16(12-17,9-8-15)18-11-13-4-5-14(18)10-13/h13-14H,3-12,17H2,1-2H3
InChIKeySOUHEZSHMOOACP-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds2

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

[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine (PubChem CID 65088275) 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)-4,4-dimethylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
PubChem CID65088275
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
SMILESCC1(C)CCCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-15(2)6-3-7-16(12-17,9-8-15)18-11-13-4-5-14(18)10-13/h13-14H,3-12,17H2,1-2H3
InChIKeySOUHEZSHMOOACP-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79959160
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
CID 54980477
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088575
[1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088160
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 65088033
[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
CID 114592541
1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 114996091
[1-(4-cyclopropylpiperazin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705604

Frequently Asked Questions

What is the IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine?
The IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine (CID 65088275) is [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine.
What is the SMILES notation for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine?
The canonical SMILES for [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine is CC1(C)CCCC(CN)(N2CC3CCC2C3)CC1.
What is the InChIKey of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine?
The InChIKey is SOUHEZSHMOOACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2)6-3-7-16(12-17,9-8-15)18-11-13-4-5-14(18)10-13/h13-14H,3-12,17H2,1-2H3.
What are the key properties of [1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine?
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 2 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)-4,4-dimethylcycloheptyl]methanamine is sourced from PubChem (CID 65088275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).