1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea

C13H25N3O — CID 53553549

IUPAC1-cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NC1CCCC1)C2CC2
InChIInChI=1S/C13H25N3O/c1-2-16(12-7-8-12)10-9-14-13(17)15-11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyKZWKFTKLUYHZFS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.60
Rot. Bonds6

About 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea

1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea (PubChem CID 53553549) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea.

Molecular Properties

Compound Name1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
PubChem CID53553549
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NC1CCCC1)C2CC2
InChIInChI=1S/C13H25N3O/c1-2-16(12-7-8-12)10-9-14-13(17)15-11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyKZWKFTKLUYHZFS-UHFFFAOYSA-N
XLogP1.60
TPSA44.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-butyl-N'-cyclopentylurea
CID 4150224
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145120
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
CID 17180342
3-Cyclopropyl-1,1-bis[2-(dimethylamino)ethyl]urea
CID 53621558
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-[2-[cyclopropyl(methyl)amino]ethyl]azocane-1-carboxamide
CID 71931538
1-[2-[Butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
CID 71934037
N-cyclopropyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 72146785
1,1-diethyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 97786807

Frequently Asked Questions

What is the IUPAC name of 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea?
The IUPAC name of 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea (CID 53553549) is 1-cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea.
What is the SMILES notation for 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea?
The canonical SMILES for 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea is CCN(CCNC(=O)NC1CCCC1)C2CC2.
What is the InChIKey of 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea?
The InChIKey is KZWKFTKLUYHZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16(12-7-8-12)10-9-14-13(17)15-11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea?
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea has a molecular weight of 239.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea is sourced from PubChem (CID 53553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).