4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide

C12H28N4O — CID 66430981

IUPAC4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N(C)CCN(C)C
InChIInChI=1S/C12H28N4O/c1-10(2)14-12(17)8-11(9-13)16(5)7-6-15(3)4/h10-11H,6-9,13H2,1-5H3,(H,14,17)
InChIKeyZFQWDSDBJPARIJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.28
Rot. Bonds8

About 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide

4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide (PubChem CID 66430981) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
PubChem CID66430981
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N(C)CCN(C)C
InChIInChI=1S/C12H28N4O/c1-10(2)14-12(17)8-11(9-13)16(5)7-6-15(3)4/h10-11H,6-9,13H2,1-5H3,(H,14,17)
InChIKeyZFQWDSDBJPARIJ-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
CID 66431998
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]-N-propan-2-ylbutanamide
CID 66430158
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
CID 81058816
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide (CID 66430981) is 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)N(C)CCN(C)C.
What is the InChIKey of 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide?
The InChIKey is ZFQWDSDBJPARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-10(2)14-12(17)8-11(9-13)16(5)7-6-15(3)4/h10-11H,6-9,13H2,1-5H3,(H,14,17).
What are the key properties of 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide?
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide has a molecular weight of 244.38 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 66430981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).