2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide

C15H31N3O — CID 54985135

IUPAC2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C1CC(C)CCC1CN
InChIInChI=1S/C15H31N3O/c1-5-8-18(11-15(19)17(3)4)14-9-12(2)6-7-13(14)10-16/h12-14H,5-11,16H2,1-4H3
InChIKeySSVXUXGAOVWKRQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.55
Rot. Bonds6

About 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 54985135) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
PubChem CID54985135
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C1CC(C)CCC1CN
InChIInChI=1S/C15H31N3O/c1-5-8-18(11-15(19)17(3)4)14-9-12(2)6-7-13(14)10-16/h12-14H,5-11,16H2,1-4H3
InChIKeySSVXUXGAOVWKRQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide (CID 54985135) is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)C1CC(C)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is SSVXUXGAOVWKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-8-18(11-15(19)17(3)4)14-9-12(2)6-7-13(14)10-16/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 54985135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).