1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine

C13H21N — CID 164660880

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine
SMILESNC(CC1CC=CC1)C1C2CCCC21
InChIInChI=1S/C13H21N/c14-12(8-9-4-1-2-5-9)13-10-6-3-7-11(10)13/h1-2,9-13H,3-8,14H2
InChIKeyAFTXWXPNRWQHLY-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.72
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine (PubChem CID 164660880) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine
PubChem CID164660880
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine
SMILESNC(CC1CC=CC1)C1C2CCCC21
InChIInChI=1S/C13H21N/c14-12(8-9-4-1-2-5-9)13-10-6-3-7-11(10)13/h1-2,9-13H,3-8,14H2
InChIKeyAFTXWXPNRWQHLY-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-3-en-1-yl-1-(2-methylcyclopropyl)ethanamine
CID 164660508
[1-(6-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]hydrazine
CID 105310130
[1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopentylethyl]hydrazine
CID 105299126
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine
CID 115830174
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
6-bicyclo[3.1.0]hexanyl(cyclobutyl)methanamine
CID 105049389
1-(7-bicyclo[4.1.0]heptanyl)-4,4-dimethylpentan-1-amine
CID 115850224
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
(1S)-1,2-dicyclohexylethanamine
CID 44574818

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine (CID 164660880) is 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine is NC(CC1CC=CC1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine?
The InChIKey is AFTXWXPNRWQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c14-12(8-9-4-1-2-5-9)13-10-6-3-7-11(10)13/h1-2,9-13H,3-8,14H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine has a molecular weight of 191.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-cyclopent-3-en-1-ylethanamine is sourced from PubChem (CID 164660880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).