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

C14H28N2O — CID 106173796

IUPAC1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC1=CCCC1
InChIInChI=1S/C14H28N2O/c1-3-16(4-2)12-14(17)11-15-10-9-13-7-5-6-8-13/h7,14-15,17H,3-6,8-12H2,1-2H3
InChIKeyBMWBVKDEUGWGBZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds9

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

1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol (PubChem CID 106173796) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
PubChem CID106173796
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCCC1=CCCC1
InChIInChI=1S/C14H28N2O/c1-3-16(4-2)12-14(17)11-15-10-9-13-7-5-6-8-13/h7,14-15,17H,3-6,8-12H2,1-2H3
InChIKeyBMWBVKDEUGWGBZ-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
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

(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
1-[2-(cyclohexen-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634630
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 106174220
1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
CID 114153912
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 106173895
N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106169973
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol (CID 106173796) is 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNCCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
The InChIKey is BMWBVKDEUGWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-16(4-2)12-14(17)11-15-10-9-13-7-5-6-8-13/h7,14-15,17H,3-6,8-12H2,1-2H3.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol?
1-[2-(cyclopenten-1-yl)ethylamino]-3-(diethylamino)propan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.78, 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-(diethylamino)propan-2-ol is sourced from PubChem (CID 106173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).