4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide

C12H28N4O — CID 103190946

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
SMILESCCN(CCC(NC)C(N)=O)C(C)CN(C)C
InChIInChI=1S/C12H28N4O/c1-6-16(10(2)9-15(4)5)8-7-11(14-3)12(13)17/h10-11,14H,6-9H2,1-5H3,(H2,13,17)
InChIKeyGLZUNENUKSLCDS-UHFFFAOYSA-N
MW244.38 g/mol
LogP-0.28
Rot. Bonds9

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide

4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide (PubChem CID 103190946) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
PubChem CID103190946
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
SMILESCCN(CCC(NC)C(N)=O)C(C)CN(C)C
InChIInChI=1S/C12H28N4O/c1-6-16(10(2)9-15(4)5)8-7-11(14-3)12(13)17/h10-11,14H,6-9H2,1-5H3,(H2,13,17)
InChIKeyGLZUNENUKSLCDS-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63053033
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
2,5-bis(methylamino)hexanediamide
CID 66221520
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190643

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide (CID 103190946) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide is CCN(CCC(NC)C(N)=O)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide?
The InChIKey is GLZUNENUKSLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-6-16(10(2)9-15(4)5)8-7-11(14-3)12(13)17/h10-11,14H,6-9H2,1-5H3,(H2,13,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide?
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide has a molecular weight of 244.38 g/mol, XLogP of -0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide is sourced from PubChem (CID 103190946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).