1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C16H33N3O2 — CID 111504848

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C16H33N3O2/c1-12(2)9-13(10-19(4)5)17-15(21)18-14-7-6-8-16(14,3)11-20/h12-14,20H,6-11H2,1-5H3,(H2,17,18,21)
InChIKeyGELXXLTYRJGPTR-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds7

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111504848) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111504848
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C16H33N3O2/c1-12(2)9-13(10-19(4)5)17-15(21)18-14-7-6-8-16(14,3)11-20/h12-14,20H,6-11H2,1-5H3,(H2,17,18,21)
InChIKeyGELXXLTYRJGPTR-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(3-methylbutoxy)ethyl]urea
CID 111505389
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 111504087
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506485
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506132
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503768

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111504848) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC(C)CC(CN(C)C)NC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is GELXXLTYRJGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)9-13(10-19(4)5)17-15(21)18-14-7-6-8-16(14,3)11-20/h12-14,20H,6-11H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111504848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).