1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea

C13H27N3O2 — CID 63870768

IUPAC1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
SMILESCCCNC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C13H27N3O2/c1-2-8-15-13(17)16-9-3-10-18-12-6-4-11(14)5-7-12/h11-12H,2-10,14H2,1H3,(H2,15,16,17)
InChIKeyZHAABLPTQUZTFH-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.37
Rot. Bonds7

About 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea

1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea (PubChem CID 63870768) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
PubChem CID63870768
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
SMILESCCCNC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C13H27N3O2/c1-2-8-15-13(17)16-9-3-10-18-12-6-4-11(14)5-7-12/h11-12H,2-10,14H2,1H3,(H2,15,16,17)
InChIKeyZHAABLPTQUZTFH-UHFFFAOYSA-N
XLogP1.37
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
CID 63870429
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949472
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
CID 55794353
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
CID 63870310
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea?
The IUPAC name of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea (CID 63870768) is 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea.
What is the SMILES notation for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea?
The canonical SMILES for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea is CCCNC(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea?
The InChIKey is ZHAABLPTQUZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-8-15-13(17)16-9-3-10-18-12-6-4-11(14)5-7-12/h11-12H,2-10,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea?
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea has a molecular weight of 257.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea is sourced from PubChem (CID 63870768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).