1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine

C15H31N3 — CID 79847823

IUPAC1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCCCC2(C)C)C1
InChIInChI=1S/C15H31N3/c1-14(2)8-5-6-9-15(14,12-16)18-10-7-13(11-18)17(3)4/h13H,5-12,16H2,1-4H3
InChIKeyLUGWCXMBIZDHPV-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 79847823) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID79847823
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCCCC2(C)C)C1
InChIInChI=1S/C15H31N3/c1-14(2)8-5-6-9-15(14,12-16)18-10-7-13(11-18)17(3)4/h13H,5-12,16H2,1-4H3
InChIKeyLUGWCXMBIZDHPV-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464444
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
(2,2-dimethyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 79834604
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856298
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine (CID 79847823) is 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2(CN)CCCCC2(C)C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LUGWCXMBIZDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)8-5-6-9-15(14,12-16)18-10-7-13(11-18)17(3)4/h13H,5-12,16H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 79847823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).