1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea

C11H24N2O — CID 58469172

IUPAC1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
SMILESCC(C)[C@H](NC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)12-10(14)13(6)7/h8-9H,1-7H3,(H,12,14)/t9-/m0/s1
InChIKeyVILBDVJBFJKQOD-VIFPVBQESA-N
MW200.33 g/mol
LogP2.33
Rot. Bonds2

About 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea

1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea (PubChem CID 58469172) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
PubChem CID58469172
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
SMILESCC(C)[C@H](NC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)12-10(14)13(6)7/h8-9H,1-7H3,(H,12,14)/t9-/m0/s1
InChIKeyVILBDVJBFJKQOD-VIFPVBQESA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea (CID 58469172) is 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea is CC(C)[C@H](NC(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The InChIKey is VILBDVJBFJKQOD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)12-10(14)13(6)7/h8-9H,1-7H3,(H,12,14)/t9-/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea has a molecular weight of 200.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea is sourced from PubChem (CID 58469172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).