1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea

C13H27N3O2 — CID 111338463

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-4-5-12(17)9-15-13(18)14-8-10(2)16(3)11-6-7-11/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18)
InChIKeyFAUUKMOVNYWAOY-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.93
Rot. Bonds8

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea (PubChem CID 111338463) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
PubChem CID111338463
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-4-5-12(17)9-15-13(18)14-8-10(2)16(3)11-6-7-11/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18)
InChIKeyFAUUKMOVNYWAOY-UHFFFAOYSA-N
XLogP0.93
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
CID 111104304
1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 97186218
2-N-cyclopropyl-2-N-methyl-1-N-(2-methylpentyl)propane-1,2-diamine
CID 115907091
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxypentanamide
CID 103895673
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555
(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
CID 114134011

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea (CID 111338463) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)NCC(C)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea?
The InChIKey is FAUUKMOVNYWAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-5-12(17)9-15-13(18)14-8-10(2)16(3)11-6-7-11/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea has a molecular weight of 257.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111338463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).