[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

C14H28N2 — CID 79181049

IUPAC[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1CN(CC2CCCCC2CN)CC1C
InChIInChI=1S/C14H28N2/c1-11-8-16(9-12(11)2)10-14-6-4-3-5-13(14)7-15/h11-14H,3-10,15H2,1-2H3
InChIKeyZOQPUKJQEIYJHM-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.34
Rot. Bonds3

About [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 79181049) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID79181049
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1CN(CC2CCCCC2CN)CC1C
InChIInChI=1S/C14H28N2/c1-11-8-16(9-12(11)2)10-14-6-4-3-5-13(14)7-15/h11-14H,3-10,15H2,1-2H3
InChIKeyZOQPUKJQEIYJHM-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylcyclodecyl)methanamine
CID 163635360
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
CID 130874854
N,N,4-trimethyl-1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 81475324
[2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314928
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
[2-[(2-ethyl-1,4-oxazepan-4-yl)methyl]cyclopentyl]methanamine
CID 114218481
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (CID 79181049) is [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is CC1CN(CC2CCCCC2CN)CC1C.
What is the InChIKey of [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is ZOQPUKJQEIYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-8-16(9-12(11)2)10-14-6-4-3-5-13(14)7-15/h11-14H,3-10,15H2,1-2H3.
What are the key properties of [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79181049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).