4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C12H24N2 — CID 60973462

IUPAC4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCN1CC1CCC(N)CC1
InChIInChI=1S/C12H24N2/c1-10-3-2-8-14(10)9-11-4-6-12(13)7-5-11/h10-12H,2-9,13H2,1H3
InChIKeyCESBLXXXNSUMHW-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds2

About 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 60973462) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID60973462
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCN1CC1CCC(N)CC1
InChIInChI=1S/C12H24N2/c1-10-3-2-8-14(10)9-11-4-6-12(13)7-5-11/h10-12H,2-9,13H2,1H3
InChIKeyCESBLXXXNSUMHW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
1-(cyclohexylmethyl)-3-methylpiperidin-2-amine
CID 163167256
(3-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867638
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66238123
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
CID 66010510
N-(cyclopropylmethyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 60973348
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 60973462) is 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is CC1CCCN1CC1CCC(N)CC1.
What is the InChIKey of 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is CESBLXXXNSUMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-3-2-8-14(10)9-11-4-6-12(13)7-5-11/h10-12H,2-9,13H2,1H3.
What are the key properties of 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60973462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).