[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine

C12H24N2 — CID 164661715

IUPAC[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
SMILESCC1CN(C2CCCCCC2CN)C1
InChIInChI=1S/C12H24N2/c1-10-8-14(9-10)12-6-4-2-3-5-11(12)7-13/h10-12H,2-9,13H2,1H3
InChIKeyHUFNEZLPAVMZKO-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.85
Rot. Bonds2

About [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine

[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine (PubChem CID 164661715) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
PubChem CID164661715
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
SMILESCC1CN(C2CCCCCC2CN)C1
InChIInChI=1S/C12H24N2/c1-10-8-14(9-10)12-6-4-2-3-5-11(12)7-13/h10-12H,2-9,13H2,1H3
InChIKeyHUFNEZLPAVMZKO-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
CID 103531219
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
CID 79174757
[2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592320
(2-methylcyclodecyl)methanamine
CID 163635360
[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine
CID 79677584
[2-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 55158006
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine (CID 164661715) is [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine is CC1CN(C2CCCCCC2CN)C1.
What is the InChIKey of [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine?
The InChIKey is HUFNEZLPAVMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-8-14(9-10)12-6-4-2-3-5-11(12)7-13/h10-12H,2-9,13H2,1H3.
What are the key properties of [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine?
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylazetidin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 164661715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).