3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine

C11H19NO — CID 130587116

IUPAC3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine
SMILESCOC1CCCC1C1=CC(N)CC1
InChIInChI=1S/C11H19NO/c1-13-11-4-2-3-10(11)8-5-6-9(12)7-8/h7,9-11H,2-6,12H2,1H3
InChIKeyYTMNQSVXZKKPSB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.85
Rot. Bonds2

About 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine

3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine (PubChem CID 130587116) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine
PubChem CID130587116
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine
SMILESCOC1CCCC1C1=CC(N)CC1
InChIInChI=1S/C11H19NO/c1-13-11-4-2-3-10(11)8-5-6-9(12)7-8/h7,9-11H,2-6,12H2,1H3
InChIKeyYTMNQSVXZKKPSB-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.85
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

(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
(1S)-4-(2-methoxyprop-2-enyl)-1,2,3,4-tetrahydropentalen-1-amine;molecular hydrogen
CID 143343498
(Z,2R)-5-(1-methoxyethyl)-3,8-dimethylnon-3-en-2-amine
CID 156450643
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxolan-3-yl)cyclopent-2-en-1-amine
CID 65174282
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
3-(1-Methoxypropan-2-yl)cyclopent-2-en-1-amine
CID 65174877

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine (CID 130587116) is 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine is COC1CCCC1C1=CC(N)CC1.
What is the InChIKey of 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine?
The InChIKey is YTMNQSVXZKKPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-4-2-3-10(11)8-5-6-9(12)7-8/h7,9-11H,2-6,12H2,1H3.
What are the key properties of 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine?
3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycyclopentyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 130587116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).