1-ethyl-1,3-dimethyl-3-pentan-3-ylurea

C10H22N2O — CID 116654334

IUPAC1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
SMILESCCC(CC)N(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3
InChIKeyJKHWAGVTXDMSIL-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.18
Rot. Bonds4

About 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea

1-ethyl-1,3-dimethyl-3-pentan-3-ylurea (PubChem CID 116654334) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
PubChem CID116654334
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-ethyl-1,3-dimethyl-3-pentan-3-ylurea
SMILESCCC(CC)N(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3
InChIKeyJKHWAGVTXDMSIL-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
N-ethyl-N,2-dimethylbutanamide
CID 89343843
3-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662758
2-(N-[methyl(pentan-3-yl)carbamoyl]anilino)acetic acid
CID 61202713
3-amino-1-methyl-1-pentan-3-ylurea
CID 43571547
1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
CID 79163244
N-methyl-N-pentan-3-ylpentanamide
CID 162142543
2-[[methyl(pentan-3-yl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283739
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
(2R)-2-amino-N,3-dimethyl-N-pentan-3-ylbutanamide
CID 79011778
2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The IUPAC name of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea (CID 116654334) is 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea.
What is the SMILES notation for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The canonical SMILES for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea is CCC(CC)N(C)C(=O)N(C)CC.
What is the InChIKey of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
The InChIKey is JKHWAGVTXDMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(7-2)12(5)10(13)11(4)8-3/h9H,6-8H2,1-5H3.
What are the key properties of 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea?
1-ethyl-1,3-dimethyl-3-pentan-3-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethyl-3-pentan-3-ylurea is sourced from PubChem (CID 116654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).