[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine

C16H32N2 — CID 113417186

IUPAC[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCCC1CCN(C2(CN)CCCC(C)C2C)C1
InChIInChI=1S/C16H32N2/c1-4-6-15-8-10-18(11-15)16(12-17)9-5-7-13(2)14(16)3/h13-15H,4-12,17H2,1-3H3
InChIKeyDYDCHPPUCMQUML-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds4

About [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine

[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 113417186) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID113417186
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCCC1CCN(C2(CN)CCCC(C)C2C)C1
InChIInChI=1S/C16H32N2/c1-4-6-15-8-10-18(11-15)16(12-17)9-5-7-13(2)14(16)3/h13-15H,4-12,17H2,1-3H3
InChIKeyDYDCHPPUCMQUML-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-ethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761345
[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761757
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365284
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64763160
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64762335
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 65319468
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 102964786
(1-ethyl-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 123617819

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 113417186) is [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine is CCCC1CCN(C2(CN)CCCC(C)C2C)C1.
What is the InChIKey of [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is DYDCHPPUCMQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-15-8-10-18(11-15)16(12-17)9-5-7-13(2)14(16)3/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 113417186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).