1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea

C11H24N2O — CID 58469260

IUPAC1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea
SMILESCC(C)C(C(C)C)N(C)C(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)10(9(3)4)13(7)11(14)12(5)6/h8-10H,1-7H3
InChIKeyPBTJMSALLZKKQS-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea

1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea (PubChem CID 58469260) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea
PubChem CID58469260
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea
SMILESCC(C)C(C(C)C)N(C)C(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)10(9(3)4)13(7)11(14)12(5)6/h8-10H,1-7H3
InChIKeyPBTJMSALLZKKQS-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethyl-1,3-bis(2-methylpropyl)urea
CID 58223946
1-(2,4-Dimethylpentan-3-yl)-3-methylurea
CID 58468736
1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
CID 58469093
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
CID 58469200
N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
CID 58469653
3-(2,4-Dimethylpentan-3-yl)-1,1-dimethylurea
CID 58469742
1,3-Dimethyl-1-(2-methylpropyl)-3-propan-2-ylurea
CID 59961769
N-methyl-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 68220889
N-methyl-N-(2,2,4-trimethylpentan-3-yl)azetidine-1-carboxamide
CID 68221672
1-Methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea
CID 87304163
1,1,3-Trimethyl-3-(3-methylbutan-2-yl)urea
CID 88894836
1-(3,3-Dimethylbutan-2-yl)-1,3,3-trimethylurea
CID 88894980

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea (CID 58469260) is 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea is CC(C)C(C(C)C)N(C)C(=O)N(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea?
The InChIKey is PBTJMSALLZKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)10(9(3)4)13(7)11(14)12(5)6/h8-10H,1-7H3.
What are the key properties of 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea?
1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-3-yl)-1,3,3-trimethylurea is sourced from PubChem (CID 58469260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).