(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine

C12H24N2 — CID 131065558

IUPAC(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
SMILESCC1(C)CCC(N2CC[C@@H](N)C2)CC1
InChIInChI=1S/C12H24N2/c1-12(2)6-3-11(4-7-12)14-8-5-10(13)9-14/h10-11H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyICUFONJJNHDSNJ-SNVBAGLBSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds1

About (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine

(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine (PubChem CID 131065558) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
PubChem CID131065558
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
SMILESCC1(C)CCC(N2CC[C@@H](N)C2)CC1
InChIInChI=1S/C12H24N2/c1-12(2)6-3-11(4-7-12)14-8-5-10(13)9-14/h10-11H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyICUFONJJNHDSNJ-SNVBAGLBSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
1-(3,3-dimethylcyclopentyl)azetidin-3-amine
CID 80698532
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
(3R)-1-(thian-4-yl)pyrrolidin-3-amine;hydrochloride
CID 130610551
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-(4-methyl-4-morpholin-4-ylcyclohexyl)piperidin-3-amine
CID 165488142
[1-(3,3-dimethylcyclopentyl)piperidin-3-yl]methanamine
CID 80699912
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
CID 141093177

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine (CID 131065558) is (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine is CC1(C)CCC(N2CC[C@@H](N)C2)CC1.
What is the InChIKey of (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is ICUFONJJNHDSNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2)6-3-11(4-7-12)14-8-5-10(13)9-14/h10-11H,3-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine?
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 131065558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).