1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea

C11H21N3O — CID 108913658

IUPAC1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC=C1CCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)8-7-12-11(15)13-9-10-5-3-4-6-10/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyJEXRAHUSSCCDCZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.31
Rot. Bonds4

About 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea

1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 108913658) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID108913658
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC=C1CCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)8-7-12-11(15)13-9-10-5-3-4-6-10/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyJEXRAHUSSCCDCZ-UHFFFAOYSA-N
XLogP1.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylidenemethyl)-3-propylurea
CID 108912374
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
CID 108913619
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-[2-(dimethylamino)ethyl]-3-methylurea;propane
CID 158826025
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
1-cyclohexylidene-3-(dimethylamino)propan-2-one
CID 69155860

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea (CID 108913658) is 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC=C1CCCC1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is JEXRAHUSSCCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(2)8-7-12-11(15)13-9-10-5-3-4-6-10/h9H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea?
1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 211.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 108913658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).