2-[4-(methylamino)butan-2-ylamino]acetamide

C7H17N3O — CID 87765136

IUPAC2-[4-(methylamino)butan-2-ylamino]acetamide
SMILESCNCCC(C)NCC(N)=O
InChIInChI=1S/C7H17N3O/c1-6(3-4-9-2)10-5-7(8)11/h6,9-10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyFPGKVTJCUUOFNE-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.94
Rot. Bonds6

About 2-[4-(methylamino)butan-2-ylamino]acetamide

2-[4-(methylamino)butan-2-ylamino]acetamide (PubChem CID 87765136) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[4-(methylamino)butan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[4-(methylamino)butan-2-ylamino]acetamide
PubChem CID87765136
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-[4-(methylamino)butan-2-ylamino]acetamide
SMILESCNCCC(C)NCC(N)=O
InChIInChI=1S/C7H17N3O/c1-6(3-4-9-2)10-5-7(8)11/h6,9-10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyFPGKVTJCUUOFNE-UHFFFAOYSA-N
XLogP-0.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
2-(5-methylhexylamino)acetamide
CID 115325450
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211
1-N,3-dimethylpent-4-ene-1,4-diamine
CID 142892579
3-N-[2-(methylamino)ethyl]butane-1,3-diamine
CID 90769652
2-acetamidoacetamide;methylaminomethanol
CID 143571891
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butan-2-ylamino]acetamide?
The IUPAC name of 2-[4-(methylamino)butan-2-ylamino]acetamide (CID 87765136) is 2-[4-(methylamino)butan-2-ylamino]acetamide.
What is the SMILES notation for 2-[4-(methylamino)butan-2-ylamino]acetamide?
The canonical SMILES for 2-[4-(methylamino)butan-2-ylamino]acetamide is CNCCC(C)NCC(N)=O.
What is the InChIKey of 2-[4-(methylamino)butan-2-ylamino]acetamide?
The InChIKey is FPGKVTJCUUOFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(3-4-9-2)10-5-7(8)11/h6,9-10H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of 2-[4-(methylamino)butan-2-ylamino]acetamide?
2-[4-(methylamino)butan-2-ylamino]acetamide has a molecular weight of 159.23 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butan-2-ylamino]acetamide is sourced from PubChem (CID 87765136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).