3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea

C9H19N3O — CID 79154067

IUPAC3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C9H19N3O/c1-12(2)8(13)11-9(7-10)5-3-4-6-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyWMIOTQYKANAPJN-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea

3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea (PubChem CID 79154067) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
PubChem CID79154067
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C9H19N3O/c1-12(2)8(13)11-9(7-10)5-3-4-6-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyWMIOTQYKANAPJN-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-dimethylurea
CID 79154068
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119566219
2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
CID 82505299
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
CID 79151741

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea (CID 79154067) is 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea is CN(C)C(=O)NC1(CN)CCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea?
The InChIKey is WMIOTQYKANAPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)8(13)11-9(7-10)5-3-4-6-9/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea?
3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea is sourced from PubChem (CID 79154067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).