4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide

C12H28N4O — CID 66430036

IUPAC4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)CCCN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C12H28N4O/c1-14(2)7-6-8-16(5)11(10-13)9-12(17)15(3)4/h11H,6-10,13H2,1-5H3
InChIKeyIIWHUEBZIGEVEC-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.32
Rot. Bonds8

About 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide

4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide (PubChem CID 66430036) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
PubChem CID66430036
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)CCCN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C12H28N4O/c1-14(2)7-6-8-16(5)11(10-13)9-12(17)15(3)4/h11H,6-10,13H2,1-5H3
InChIKeyIIWHUEBZIGEVEC-UHFFFAOYSA-N
XLogP-0.32
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[3-methoxypropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431256
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
CID 81059610
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66432485
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981
2-N-[3-(dimethylamino)propyl]-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268623
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900
4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431862

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide (CID 66430036) is 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide is CN(C)CCCN(C)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide?
The InChIKey is IIWHUEBZIGEVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-14(2)7-6-8-16(5)11(10-13)9-12(17)15(3)4/h11H,6-10,13H2,1-5H3.
What are the key properties of 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide?
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of -0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66430036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).