2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide

C14H29N3O — CID 62006956

IUPAC2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC1CCCC(CN)(N(C)CC(=O)NC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)16-13(18)9-17(4)14(10-15)7-5-6-12(3)8-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyYGFBQDSSTMAHIY-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide

2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 62006956) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID62006956
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC1CCCC(CN)(N(C)CC(=O)NC(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)16-13(18)9-17(4)14(10-15)7-5-6-12(3)8-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyYGFBQDSSTMAHIY-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62007108
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
CID 62009417
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide (CID 62006956) is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide is CC1CCCC(CN)(N(C)CC(=O)NC(C)C)C1.
What is the InChIKey of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is YGFBQDSSTMAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)16-13(18)9-17(4)14(10-15)7-5-6-12(3)8-14/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62006956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).