4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine

C13H24N2O — CID 79207174

IUPAC4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCN(CC1C=CC(N)C1)CC1CCCO1
InChIInChI=1S/C13H24N2O/c1-2-15(10-13-4-3-7-16-13)9-11-5-6-12(14)8-11/h5-6,11-13H,2-4,7-10,14H2,1H3
InChIKeyXRHGMKHIZUYLTO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.39
Rot. Bonds5

About 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207174) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207174
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCN(CC1C=CC(N)C1)CC1CCCO1
InChIInChI=1S/C13H24N2O/c1-2-15(10-13-4-3-7-16-13)9-11-5-6-12(14)8-11/h5-6,11-13H,2-4,7-10,14H2,1H3
InChIKeyXRHGMKHIZUYLTO-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62609399
4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
CID 79207072
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 61435668
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497652
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207174) is 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine is CCN(CC1C=CC(N)C1)CC1CCCO1.
What is the InChIKey of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is XRHGMKHIZUYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15(10-13-4-3-7-16-13)9-11-5-6-12(14)8-11/h5-6,11-13H,2-4,7-10,14H2,1H3.
What are the key properties of 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).