2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol

C13H26N2O — CID 103070001

IUPAC2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-14-10-12(2)11-15(8-9-16)13-6-4-5-7-13/h13-14,16H,2-11H2,1H3
InChIKeyXKDUYYKDEJCJEM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds8

About 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol

2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103070001) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103070001
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCC)CN(CCO)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-14-10-12(2)11-15(8-9-16)13-6-4-5-7-13/h13-14,16H,2-11H2,1H3
InChIKeyXKDUYYKDEJCJEM-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N,N'-diethyl-2-methylidenepropane-1,3-diamine
CID 103069258
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
N-cyclopropyl-N'-ethyl-2-methylidene-N-(2-methylpropyl)propane-1,3-diamine
CID 103070025
2-[2-chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 62014468
3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
CID 103071461
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol (CID 103070001) is 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCC)CN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is XKDUYYKDEJCJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14-10-12(2)11-15(8-9-16)13-6-4-5-7-13/h13-14,16H,2-11H2,1H3.
What are the key properties of 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol?
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103070001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).