1,3-bis(3-amino-3-methylbutyl)urea

C11H26N4O — CID 57132774

IUPAC1,3-bis(3-amino-3-methylbutyl)urea
SMILESCC(C)(N)CCNC(=O)NCCC(C)(C)N
InChIInChI=1S/C11H26N4O/c1-10(2,12)5-7-14-9(16)15-8-6-11(3,4)13/h5-8,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyZOWKLYKKECRQRR-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.54
Rot. Bonds6

About 1,3-bis(3-amino-3-methylbutyl)urea

1,3-bis(3-amino-3-methylbutyl)urea (PubChem CID 57132774) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1,3-bis(3-amino-3-methylbutyl)urea.

Molecular Properties

Compound Name1,3-bis(3-amino-3-methylbutyl)urea
PubChem CID57132774
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1,3-bis(3-amino-3-methylbutyl)urea
SMILESCC(C)(N)CCNC(=O)NCCC(C)(C)N
InChIInChI=1S/C11H26N4O/c1-10(2,12)5-7-14-9(16)15-8-6-11(3,4)13/h5-8,12-13H2,1-4H3,(H2,14,15,16)
InChIKeyZOWKLYKKECRQRR-UHFFFAOYSA-N
XLogP0.54
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-amino-3-methylbutyl)urea?
The IUPAC name of 1,3-bis(3-amino-3-methylbutyl)urea (CID 57132774) is 1,3-bis(3-amino-3-methylbutyl)urea.
What is the SMILES notation for 1,3-bis(3-amino-3-methylbutyl)urea?
The canonical SMILES for 1,3-bis(3-amino-3-methylbutyl)urea is CC(C)(N)CCNC(=O)NCCC(C)(C)N.
What is the InChIKey of 1,3-bis(3-amino-3-methylbutyl)urea?
The InChIKey is ZOWKLYKKECRQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-10(2,12)5-7-14-9(16)15-8-6-11(3,4)13/h5-8,12-13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1,3-bis(3-amino-3-methylbutyl)urea?
1,3-bis(3-amino-3-methylbutyl)urea has a molecular weight of 230.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-amino-3-methylbutyl)urea is sourced from PubChem (CID 57132774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).