1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine

C15H31N3 — CID 64734685

IUPAC1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CC(C)C(CN2CCC(N(C)C)C2)C(N)C1
InChIInChI=1S/C15H31N3/c1-11-7-12(2)14(15(16)8-11)10-18-6-5-13(9-18)17(3)4/h11-15H,5-10,16H2,1-4H3
InChIKeyJSODVHHCVLEWLF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.63
Rot. Bonds3

About 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine

1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 64734685) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID64734685
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC1CC(C)C(CN2CCC(N(C)C)C2)C(N)C1
InChIInChI=1S/C15H31N3/c1-11-7-12(2)14(15(16)8-11)10-18-6-5-13(9-18)17(3)4/h11-15H,5-10,16H2,1-4H3
InChIKeyJSODVHHCVLEWLF-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 64734685) is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine is CC1CC(C)C(CN2CCC(N(C)C)C2)C(N)C1.
What is the InChIKey of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is JSODVHHCVLEWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-11-7-12(2)14(15(16)8-11)10-18-6-5-13(9-18)17(3)4/h11-15H,5-10,16H2,1-4H3.
What are the key properties of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 64734685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).