N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine

C13H23NO — CID 79758099

IUPACN-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCOC1C
InChIInChI=1S/C13H23NO/c1-3-14-13(11-6-4-5-7-11)12-8-9-15-10(12)2/h6,10,12-14H,3-5,7-9H2,1-2H3
InChIKeyYPVUXKKMBDSQIU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds4

About N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine

N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 79758099) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID79758099
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCOC1C
InChIInChI=1S/C13H23NO/c1-3-14-13(11-6-4-5-7-11)12-8-9-15-10(12)2/h6,10,12-14H,3-5,7-9H2,1-2H3
InChIKeyYPVUXKKMBDSQIU-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
2-methyl-N-[2-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopent-2-en-1-yl]-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-amine
CID 145358095
(2E)-2-ethylidene-5-[(5-propan-2-yloxolan-2-yl)methyl]pyrrolidine
CID 175622342
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917118
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine (CID 79758099) is N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(C1=CCCC1)C1CCOC1C.
What is the InChIKey of N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is YPVUXKKMBDSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-14-13(11-6-4-5-7-11)12-8-9-15-10(12)2/h6,10,12-14H,3-5,7-9H2,1-2H3.
What are the key properties of N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79758099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).