2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide

C12H27N3O — CID 115317830

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C12H27N3O/c1-6-15(5)12(16)9-14(4)8-7-11(13)10(2)3/h10-11H,6-9,13H2,1-5H3
InChIKeyAZHTWYNWCGVHRL-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.77
Rot. Bonds7

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide (PubChem CID 115317830) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
PubChem CID115317830
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)CCC(N)C(C)C
InChIInChI=1S/C12H27N3O/c1-6-15(5)12(16)9-14(4)8-7-11(13)10(2)3/h10-11H,6-9,13H2,1-5H3
InChIKeyAZHTWYNWCGVHRL-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317840
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide (CID 115317830) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN(C)CCC(N)C(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is AZHTWYNWCGVHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-15(5)12(16)9-14(4)8-7-11(13)10(2)3/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 115317830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).