1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol

C14H25NO2 — CID 106174220

IUPAC1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNCCC1=CCCC1)COCC1CC1
InChIInChI=1S/C14H25NO2/c16-14(11-17-10-13-5-6-13)9-15-8-7-12-3-1-2-4-12/h3,13-16H,1-2,4-11H2
InChIKeyDLDXEQAPPRTOOI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.86
Rot. Bonds9

About 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol

1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 106174220) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID106174220
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNCCC1=CCCC1)COCC1CC1
InChIInChI=1S/C14H25NO2/c16-14(11-17-10-13-5-6-13)9-15-8-7-12-3-1-2-4-12/h3,13-16H,1-2,4-11H2
InChIKeyDLDXEQAPPRTOOI-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634630
2-(cyclopenten-1-yl)-N-(cyclopentylmethyl)ethanamine
CID 115908602
1-[2-(cyclohexen-1-yl)ethyl]-2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-ethylguanidine
CID 111209320
1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
N-(cyclohexylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762872
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
CID 106173796
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
CID 106261580
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104833
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol (CID 106174220) is 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol is OC(CNCCC1=CCCC1)COCC1CC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is DLDXEQAPPRTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(11-17-10-13-5-6-13)9-15-8-7-12-3-1-2-4-12/h3,13-16H,1-2,4-11H2.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol?
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 106174220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).