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

C12H26N2O — CID 58469093

IUPAC1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
SMILESCC(C)[C@H](N(C)C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)10(12(3,4)5)14(8)11(15)13(6)7/h9-10H,1-8H3/t10-/m0/s1
InChIKeySLNHSTJSELYFFD-JTQLQIEISA-N
MW214.35 g/mol
LogP2.67
Rot. Bonds2

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

1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea (PubChem CID 58469093) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
PubChem CID58469093
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
SMILESCC(C)[C@H](N(C)C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)10(12(3,4)5)14(8)11(15)13(6)7/h9-10H,1-8H3/t10-/m0/s1
InChIKeySLNHSTJSELYFFD-JTQLQIEISA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
CID 58468946
1,1,3-trimethyl-3-(3-methyl-1-oxobutan-2-yl)urea
CID 156736454
N-(3,3-dimethylbutan-2-yl)-N-methylcarbamoyl chloride
CID 79887073
4-(dimethylamino)-3,5,5-trimethylhexanoic acid
CID 116908129
4-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 116908193
methyl 3-(dimethylamino)-4,4-dimethyl-2-propan-2-ylpentanoate
CID 116913631
2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
CID 60948231
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
CID 118272073
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide
CID 163668609
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea (CID 58469093) is 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea is CC(C)[C@H](N(C)C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
The InChIKey is SLNHSTJSELYFFD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)10(12(3,4)5)14(8)11(15)13(6)7/h9-10H,1-8H3/t10-/m0/s1.
What are the key properties of 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea?
1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea has a molecular weight of 214.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea is sourced from PubChem (CID 58469093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).