3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine

C16H31N3 — CID 64752552

IUPAC3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCC1CC(C)C(N2CCC(N3CCCC3)C2)C(N)C1
InChIInChI=1S/C16H31N3/c1-12-9-13(2)16(15(17)10-12)19-8-5-14(11-19)18-6-3-4-7-18/h12-16H,3-11,17H2,1-2H3
InChIKeyMNJVYBZUZGMXSD-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds2

About 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine

3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 64752552) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID64752552
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCC1CC(C)C(N2CCC(N3CCCC3)C2)C(N)C1
InChIInChI=1S/C16H31N3/c1-12-9-13(2)16(15(17)10-12)19-8-5-14(11-19)18-6-3-4-7-18/h12-16H,3-11,17H2,1-2H3
InChIKeyMNJVYBZUZGMXSD-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-4,6-dimethylcyclohexyl)-N,N-dimethylpyrrolidin-3-amine
CID 64751765
2-(3-ethylpiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64723014
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 79938671
2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 113441643
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642
2-(2-ethylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64751329
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
2-(3,4-dimethylcyclohexyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926802
3,5-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexan-1-amine
CID 102743521
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997151
(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174686

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine (CID 64752552) is 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine is CC1CC(C)C(N2CCC(N3CCCC3)C2)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is MNJVYBZUZGMXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12-9-13(2)16(15(17)10-12)19-8-5-14(11-19)18-6-3-4-7-18/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 64752552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).