1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea

C13H27N3O2 — CID 111337403

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)16(12-4-5-12)9-8-15-13(18)14-7-6-11(3)17/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18)
InChIKeyISDRMEYEACFNKJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.93
Rot. Bonds8

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea (PubChem CID 111337403) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
PubChem CID111337403
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C13H27N3O2/c1-10(2)16(12-4-5-12)9-8-15-13(18)14-7-6-11(3)17/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18)
InChIKeyISDRMEYEACFNKJ-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

(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017596
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450631
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
CID 71932185
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75374803
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 86887365
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
CID 111337114
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
CID 86797686
3-cyclopropyl-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]morpholine-4-carboxamide
CID 84592330

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea (CID 111337403) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea?
The InChIKey is ISDRMEYEACFNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)16(12-4-5-12)9-8-15-13(18)14-7-6-11(3)17/h10-12,17H,4-9H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)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(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).