[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine

C16H32N2 — CID 113417179

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

About [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine

[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 113417179) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID113417179
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCCC1CCN(C2(CN)CCC(C)C(C)C2)C1
InChIInChI=1S/C16H32N2/c1-4-5-15-7-9-18(11-15)16(12-17)8-6-13(2)14(3)10-16/h13-15H,4-12,17H2,1-3H3
InChIKeyIGDNMHLXHDYZIU-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-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 64745247
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 102964786
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-(7,7-dimethyl-1,4-thiazepan-4-yl)-3,4-dimethylcyclohexyl]methanamine
CID 107453837
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62199436
[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 113417179) is [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine is CCCC1CCN(C2(CN)CCC(C)C(C)C2)C1.
What is the InChIKey of [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is IGDNMHLXHDYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-5-15-7-9-18(11-15)16(12-17)8-6-13(2)14(3)10-16/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine?
[3,4-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 [3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 113417179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).