N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine

C13H26N2 — CID 63996461

IUPACN-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
SMILESCC1CCC(NC2CCN(C)C2)C(C)C1
InChIInChI=1S/C13H26N2/c1-10-4-5-13(11(2)8-10)14-12-6-7-15(3)9-12/h10-14H,4-9H2,1-3H3
InChIKeyFCZDWXIXLXSHRR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine

N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine (PubChem CID 63996461) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
PubChem CID63996461
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine
SMILESCC1CCC(NC2CCN(C)C2)C(C)C1
InChIInChI=1S/C13H26N2/c1-10-4-5-13(11(2)8-10)14-12-6-7-15(3)9-12/h10-14H,4-9H2,1-3H3
InChIKeyFCZDWXIXLXSHRR-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
1-methyl-N-(2-methylcyclobutyl)piperidin-3-amine
CID 126973384
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
N-(2,4-dimethylcyclohexyl)piperidin-4-amine
CID 63996666
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062
N-(3-ethylcyclopentyl)-1,3-dimethylpiperidin-4-amine
CID 115717575
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
N-(4-ethylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115710210

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine (CID 63996461) is N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine is CC1CCC(NC2CCN(C)C2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine?
The InChIKey is FCZDWXIXLXSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-4-5-13(11(2)8-10)14-12-6-7-15(3)9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine?
N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 63996461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).