4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide

C9H21N3O — CID 104556890

IUPAC4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C(C)CN
InChIInChI=1S/C9H21N3O/c1-8(7-10)12(3)6-4-5-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyMPMBFKWWBDKADR-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds6

About 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide

4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide (PubChem CID 104556890) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
PubChem CID104556890
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C(C)CN
InChIInChI=1S/C9H21N3O/c1-8(7-10)12(3)6-4-5-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyMPMBFKWWBDKADR-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-methylbutanamide
CID 63889932
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide
CID 63893078
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
CID 62324423
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
CID 62325300
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209

Frequently Asked Questions

What is the IUPAC name of 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide?
The IUPAC name of 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide (CID 104556890) is 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide?
The canonical SMILES for 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide is CNC(=O)CCCN(C)C(C)CN.
What is the InChIKey of 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide?
The InChIKey is MPMBFKWWBDKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(7-10)12(3)6-4-5-9(13)11-2/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide?
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide is sourced from PubChem (CID 104556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).