1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea

C12H25N3O — CID 56826772

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)14-12(16)13-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyCYTYIOWUALLTMD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea

1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea (PubChem CID 56826772) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
PubChem CID56826772
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)14-12(16)13-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyCYTYIOWUALLTMD-UHFFFAOYSA-N
XLogP1.50
TPSA44.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity212

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
N-butyl-N'-cyclopentylurea
CID 4150224
N,N'-Dicyclopentylurea
CID 13812604
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
1-Cyclohexyl-2-imidazolidinone
CID 580352
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]urea
CID 876098
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
3-Cyclohexyl-1,1-dibutylurea
CID 3398150
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877

Frequently Asked Questions

What is the IUPAC name of 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea (CID 56826772) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea?
The InChIKey is CYTYIOWUALLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)14-12(16)13-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea?
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea has a molecular weight of 227.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 56826772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).