3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea

C12H25N3O — CID 115613946

IUPAC3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-4-14(2)12(16)13-9-10-15(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyNNHYKPFODLYXGV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds5

About 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea

3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea (PubChem CID 115613946) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
PubChem CID115613946
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-4-14(2)12(16)13-9-10-15(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,13,16)
InChIKeyNNHYKPFODLYXGV-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
CID 86849216
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316373
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea (CID 115613946) is 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea?
The InChIKey is NNHYKPFODLYXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-14(2)12(16)13-9-10-15(3)11-7-5-6-8-11/h11H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea?
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea has a molecular weight of 227.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 115613946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).