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

C14H27N3O2 — CID 111104304

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(CNC(=O)NC1CCCCC1O)N(C)C1CC1
InChIInChI=1S/C14H27N3O2/c1-10(17(2)11-7-8-11)9-15-14(19)16-12-5-3-4-6-13(12)18/h10-13,18H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyBEXOWKFRHQFECW-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.07
Rot. Bonds5

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

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 111104304) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID111104304
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea
SMILESCC(CNC(=O)NC1CCCCC1O)N(C)C1CC1
InChIInChI=1S/C14H27N3O2/c1-10(17(2)11-7-8-11)9-15-14(19)16-12-5-3-4-6-13(12)18/h10-13,18H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyBEXOWKFRHQFECW-UHFFFAOYSA-N
XLogP1.07
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-hydroxycyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81070037
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
CID 111542825
1-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 97186218
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxypentyl)urea
CID 111338463
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933262
(2S)-2-hydroxy-3-[(2-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 114007677
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
1-ethoxy-3-(2-hydroxycyclohexyl)urea
CID 91661385

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea (CID 111104304) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea is CC(CNC(=O)NC1CCCCC1O)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is BEXOWKFRHQFECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(17(2)11-7-8-11)9-15-14(19)16-12-5-3-4-6-13(12)18/h10-13,18H,3-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.07, 5 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-hydroxycyclohexyl)urea is sourced from PubChem (CID 111104304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).