2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide

C15H29N3O — CID 62006209

IUPAC2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCC(CN)(N(C)CC(=O)N(C)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12-6-8-15(11-16,9-7-12)17(2)10-14(19)18(3)13-4-5-13/h12-13H,4-11,16H2,1-3H3
InChIKeyGAJONIADORZNCX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds5

About 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide

2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide (PubChem CID 62006209) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
PubChem CID62006209
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCC(CN)(N(C)CC(=O)N(C)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12-6-8-15(11-16,9-7-12)17(2)10-14(19)18(3)13-4-5-13/h12-13H,4-11,16H2,1-3H3
InChIKeyGAJONIADORZNCX-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide (CID 62006209) is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide is CC1CCC(CN)(N(C)CC(=O)N(C)C2CC2)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is GAJONIADORZNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-6-8-15(11-16,9-7-12)17(2)10-14(19)18(3)13-4-5-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide?
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62006209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).