3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea

C10H21N3O — CID 79153657

IUPAC3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CCCC1CN
InChIInChI=1S/C10H21N3O/c1-13(2)10(14)12-7-9-5-3-4-8(9)6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyISCYUJBBGLAWFV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.63
Rot. Bonds3

About 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea

3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea (PubChem CID 79153657) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea
PubChem CID79153657
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CCCC1CN
InChIInChI=1S/C10H21N3O/c1-13(2)10(14)12-7-9-5-3-4-8(9)6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyISCYUJBBGLAWFV-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
CID 79337568
[(1S,2R)-2-[(dimethylamino)methyl]cyclopentyl]methanamine
CID 84716624
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830986
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea (CID 79153657) is 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1CCCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea?
The InChIKey is ISCYUJBBGLAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-13(2)10(14)12-7-9-5-3-4-8(9)6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea?
3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea has a molecular weight of 199.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 79153657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).