1-(4,4-dimethylpentyl)-1,3,3-trimethylurea

C11H24N2O — CID 59138380

IUPAC1-(4,4-dimethylpentyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CCCC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)8-7-9-13(6)10(14)12(4)5/h7-9H2,1-6H3
InChIKeyMJBZGAZBOBFODE-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.43
Rot. Bonds3

About 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea

1-(4,4-dimethylpentyl)-1,3,3-trimethylurea (PubChem CID 59138380) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-1,3,3-trimethylurea
PubChem CID59138380
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(4,4-dimethylpentyl)-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)CCCC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)8-7-9-13(6)10(14)12(4)5/h7-9H2,1-6H3
InChIKeyMJBZGAZBOBFODE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Dimethylbutyl)-3,3-diethyl-1-propylurea
CID 18735423
1-Butyl-1-(3,3-dimethylbutyl)-3,3-diethylurea
CID 18735439
N-(3,3-dimethylbutyl)-N-propylpiperidine-1-carboxamide
CID 18735844
3-Pentyl-1,1,3-trimethylurea
CID 18952300
1,3-Dimethyl-1,3-dipentylurea
CID 20351752
1-(4,4-Dimethylpentyl)-3-methylurea
CID 20608653
1-(4,4-Dimethylpentyl)-3-ethylurea
CID 20706581
1-(3,3-Dimethylbutyl)-1-methylurea
CID 20792955
1,1-Dimethyl-3,3-dipentylurea
CID 21316872
3-(5,5-Dimethylhexyl)-1,1-dimethylurea
CID 57945091
4-(4,4-dimethylpentyl)-N,N-dimethylpiperazine-1-carboxamide
CID 57979597
1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
CID 58469093

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea (CID 59138380) is 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea is CN(C)C(=O)N(C)CCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea?
The InChIKey is MJBZGAZBOBFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)8-7-9-13(6)10(14)12(4)5/h7-9H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea?
1-(4,4-dimethylpentyl)-1,3,3-trimethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-1,3,3-trimethylurea is sourced from PubChem (CID 59138380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).