1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H31N3 — CID 81464797

IUPAC1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCC2C)CC1N(C)C
InChIInChI=1S/C15H31N3/c1-12-9-18(10-14(12)17(3)4)15(11-16)8-6-5-7-13(15)2/h12-14H,5-11,16H2,1-4H3
InChIKeyAHYXWNIMICKKKX-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464797) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464797
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C2(CN)CCCCC2C)CC1N(C)C
InChIInChI=1S/C15H31N3/c1-12-9-18(10-14(12)17(3)4)15(11-16)8-6-5-7-13(15)2/h12-14H,5-11,16H2,1-4H3
InChIKeyAHYXWNIMICKKKX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464797) is 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(C2(CN)CCCCC2C)CC1N(C)C.
What is the InChIKey of 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is AHYXWNIMICKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12-9-18(10-14(12)17(3)4)15(11-16)8-6-5-7-13(15)2/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-2-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 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-methylcyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).