4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide

C13H30N4O — CID 63699813

IUPAC4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN(C)CCCN(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-11(2)15-12(13(14)18)7-10-17(5)9-6-8-16(3)4/h11-12,15H,6-10H2,1-5H3,(H2,14,18)
InChIKeyHBODMVIFXAQHKU-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.11
Rot. Bonds10

About 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide

4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide (PubChem CID 63699813) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
PubChem CID63699813
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCN(C)CCCN(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-11(2)15-12(13(14)18)7-10-17(5)9-6-8-16(3)4/h11-12,15H,6-10H2,1-5H3,(H2,14,18)
InChIKeyHBODMVIFXAQHKU-UHFFFAOYSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide (CID 63699813) is 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide is CC(C)NC(CCN(C)CCCN(C)C)C(N)=O.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide?
The InChIKey is HBODMVIFXAQHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-11(2)15-12(13(14)18)7-10-17(5)9-6-8-16(3)4/h11-12,15H,6-10H2,1-5H3,(H2,14,18).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide?
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide has a molecular weight of 258.41 g/mol, XLogP of 0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63699813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).