N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine

C15H31N3 — CID 63167443

IUPACN,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
SMILESCC1CCCC(NCCN2CCC(N(C)C)C2)C1
InChIInChI=1S/C15H31N3/c1-13-5-4-6-14(11-13)16-8-10-18-9-7-15(12-18)17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMDABADJBMKBHIF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine (PubChem CID 63167443) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
PubChem CID63167443
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine
SMILESCC1CCCC(NCCN2CCC(N(C)C)C2)C1
InChIInChI=1S/C15H31N3/c1-13-5-4-6-14(11-13)16-8-10-18-9-7-15(12-18)17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyMDABADJBMKBHIF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 55024069
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
CID 63979129
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclohexan-1-amine
CID 66372208
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 62561082
1-[2-[[(1R,3S,4R)-3,4-dimethylcyclohexyl]amino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 99627103
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine (CID 63167443) is N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine is CC1CCCC(NCCN2CCC(N(C)C)C2)C1.
What is the InChIKey of N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine?
The InChIKey is MDABADJBMKBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-5-4-6-14(11-13)16-8-10-18-9-7-15(12-18)17(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).