1-(1-aminobutan-2-yl)-1-methylurea

C6H15N3O — CID 82502509

IUPAC1-(1-aminobutan-2-yl)-1-methylurea
SMILESCCC(CN)N(C)C(N)=O
InChIInChI=1S/C6H15N3O/c1-3-5(4-7)9(2)6(8)10/h5H,3-4,7H2,1-2H3,(H2,8,10)
InChIKeyNBOWRKRYAGUSKT-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.27
Rot. Bonds3

About 1-(1-aminobutan-2-yl)-1-methylurea

1-(1-aminobutan-2-yl)-1-methylurea (PubChem CID 82502509) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-1-methylurea
PubChem CID82502509
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(1-aminobutan-2-yl)-1-methylurea
SMILESCCC(CN)N(C)C(N)=O
InChIInChI=1S/C6H15N3O/c1-3-5(4-7)9(2)6(8)10/h5H,3-4,7H2,1-2H3,(H2,8,10)
InChIKeyNBOWRKRYAGUSKT-UHFFFAOYSA-N
XLogP-0.27
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-1-methylurea?
The IUPAC name of 1-(1-aminobutan-2-yl)-1-methylurea (CID 82502509) is 1-(1-aminobutan-2-yl)-1-methylurea.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-1-methylurea?
The canonical SMILES for 1-(1-aminobutan-2-yl)-1-methylurea is CCC(CN)N(C)C(N)=O.
What is the InChIKey of 1-(1-aminobutan-2-yl)-1-methylurea?
The InChIKey is NBOWRKRYAGUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-3-5(4-7)9(2)6(8)10/h5H,3-4,7H2,1-2H3,(H2,8,10).
What are the key properties of 1-(1-aminobutan-2-yl)-1-methylurea?
1-(1-aminobutan-2-yl)-1-methylurea has a molecular weight of 145.21 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)-1-methylurea is sourced from PubChem (CID 82502509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).