1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea

C12H26N2O — CID 20706491

IUPAC1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea
SMILESCN(C)C(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)12(4,5)8-9-13-10(15)14(6)7/h8-9H2,1-7H3,(H,13,15)
InChIKeyADLKCLWNLBLRKC-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.72
Rot. Bonds3

About 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea

1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea (PubChem CID 20706491) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea
PubChem CID20706491
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea
SMILESCN(C)C(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)12(4,5)8-9-13-10(15)14(6)7/h8-9H2,1-7H3,(H,13,15)
InChIKeyADLKCLWNLBLRKC-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Butyl-5-ethyl-1,3-diazepan-2-one
CID 91004205
1-(5-Amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 114149042
N,N-diethyl-N'-(1,1,3,3-tetramethylbutyl)urea
CID 17257299
3-[[3-[(Dimethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-dimethylurea
CID 24072575
1-Ethyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10932488
1-(2-Ethylbutyl)-3-hexylurea
CID 11264674
3,3-Diethyl-N-methylpiperidine-1-carboxamide
CID 13106468
N-Butyl-3,3-diethylpiperidine-1-carboxamide
CID 13141774
1-(2-Ethylhexyl)-3-propylurea
CID 19169942
1,3-Bis(4-methylpentyl)urea
CID 20490801
5,5-Dimethyl-1,3-diazocan-2-one
CID 20496498
1-(3,3-Dimethylbutyl)-3-methylurea
CID 20608645

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea (CID 20706491) is 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea is CN(C)C(=O)NCCC(C)(C)C(C)(C)C.
What is the InChIKey of 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea?
The InChIKey is ADLKCLWNLBLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)12(4,5)8-9-13-10(15)14(6)7/h8-9H2,1-7H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea?
1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea has a molecular weight of 214.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3,3,4,4-tetramethylpentyl)urea is sourced from PubChem (CID 20706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).