[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine

C14H28N2 — CID 120780293

IUPAC[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1CCCCC1CN1CCC(C)(CN)C1
InChIInChI=1S/C14H28N2/c1-12-5-3-4-6-13(12)9-16-8-7-14(2,10-15)11-16/h12-13H,3-11,15H2,1-2H3
InChIKeyHBZMKQIFUMZRRY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds3

About [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120780293) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120780293
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1CCCCC1CN1CCC(C)(CN)C1
InChIInChI=1S/C14H28N2/c1-12-5-3-4-6-13(12)9-16-8-7-14(2,10-15)11-16/h12-13H,3-11,15H2,1-2H3
InChIKeyHBZMKQIFUMZRRY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
CID 120772413
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912
4-[(2-methylcyclohexyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 91660413
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
(2-methylcyclodecyl)methanamine
CID 163635360
[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773647
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
CID 120772694

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine (CID 120780293) is [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine is CC1CCCCC1CN1CCC(C)(CN)C1.
What is the InChIKey of [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HBZMKQIFUMZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-5-3-4-6-13(12)9-16-8-7-14(2,10-15)11-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).