2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide

C12H27N3O — CID 61264103

IUPAC2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide
SMILESCC(C)CC(CNC(=O)C(C)(C)N)N(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)7-10(15(5)6)8-14-11(16)12(3,4)13/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyCGQQECUKPCHCMY-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide

2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide (PubChem CID 61264103) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide
PubChem CID61264103
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide
SMILESCC(C)CC(CNC(=O)C(C)(C)N)N(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)7-10(15(5)6)8-14-11(16)12(3,4)13/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyCGQQECUKPCHCMY-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-4-methylpentyl]-2-(methylamino)acetamide
CID 61275240
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methylpropanamide
CID 119859184
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963004
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
CID 81414349
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
CID 82909171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide (CID 61264103) is 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide is CC(C)CC(CNC(=O)C(C)(C)N)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide?
The InChIKey is CGQQECUKPCHCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)7-10(15(5)6)8-14-11(16)12(3,4)13/h9-10H,7-8,13H2,1-6H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide?
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide is sourced from PubChem (CID 61264103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).