3-(4-aminobutan-2-yl)-1,1-dimethylurea

C7H17N3O — CID 79154286

IUPAC3-(4-aminobutan-2-yl)-1,1-dimethylurea
SMILESCC(CCN)NC(=O)N(C)C
InChIInChI=1S/C7H17N3O/c1-6(4-5-8)9-7(11)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyUARZGJLMALVAMY-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.01
Rot. Bonds3

About 3-(4-aminobutan-2-yl)-1,1-dimethylurea

3-(4-aminobutan-2-yl)-1,1-dimethylurea (PubChem CID 79154286) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(4-aminobutan-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-aminobutan-2-yl)-1,1-dimethylurea
PubChem CID79154286
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(4-aminobutan-2-yl)-1,1-dimethylurea
SMILESCC(CCN)NC(=O)N(C)C
InChIInChI=1S/C7H17N3O/c1-6(4-5-8)9-7(11)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11)
InChIKeyUARZGJLMALVAMY-UHFFFAOYSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
CID 153349361
3-(1-aminopentan-2-yl)-1,1-dimethylurea
CID 79154615
methyl (2S)-6-amino-2-(dimethylcarbamoylamino)hexanoate
CID 56990852
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
3-(1-aminopropan-2-yl)-1-ethyl-1-methylurea
CID 79160112
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutan-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(4-aminobutan-2-yl)-1,1-dimethylurea (CID 79154286) is 3-(4-aminobutan-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-aminobutan-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-aminobutan-2-yl)-1,1-dimethylurea is CC(CCN)NC(=O)N(C)C.
What is the InChIKey of 3-(4-aminobutan-2-yl)-1,1-dimethylurea?
The InChIKey is UARZGJLMALVAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(4-5-8)9-7(11)10(2)3/h6H,4-5,8H2,1-3H3,(H,9,11).
What are the key properties of 3-(4-aminobutan-2-yl)-1,1-dimethylurea?
3-(4-aminobutan-2-yl)-1,1-dimethylurea has a molecular weight of 159.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutan-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 79154286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).