1-spiro[2.5]oct-6-en-6-ylethanamine

C10H17N — CID 123211232

IUPAC1-spiro[2.5]oct-6-en-6-ylethanamine
SMILESCC(N)C1=CCC2(CC1)CC2
InChIInChI=1S/C10H17N/c1-8(11)9-2-4-10(5-3-9)6-7-10/h2,8H,3-7,11H2,1H3
InChIKeyFQZONJFDDLWIQU-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.22
Rot. Bonds1

About 1-spiro[2.5]oct-6-en-6-ylethanamine

1-spiro[2.5]oct-6-en-6-ylethanamine (PubChem CID 123211232) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-spiro[2.5]oct-6-en-6-ylethanamine.

Molecular Properties

Compound Name1-spiro[2.5]oct-6-en-6-ylethanamine
PubChem CID123211232
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-spiro[2.5]oct-6-en-6-ylethanamine
SMILESCC(N)C1=CCC2(CC1)CC2
InChIInChI=1S/C10H17N/c1-8(11)9-2-4-10(5-3-9)6-7-10/h2,8H,3-7,11H2,1H3
InChIKeyFQZONJFDDLWIQU-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.22
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-(Cyclohexen-1-yl)cyclopropan-1-amine
CID 156013258
poly(beta-D-mannuronate) lyase
CID 168356126
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
Menthenamine
CID 129691874
3-Fluoro-4-[(1-methylcyclopropyl)methyl]-6-propylcyclohex-3-en-1-amine
CID 130414561
N-fluoro-2-methyl-6-(3-methylcyclopropen-1-yl)-4-methylidenehexan-3-amine
CID 167252733
4-(2,6,6-Trimethylcyclohexen-1-yl)butan-2-amine;hydrochloride
CID 54603890
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
3-Buten-2-amine, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 5365160
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-amine
CID 45790768
o-(Cyclohex-2-enyl)-2,5-xylidine
CID 129746736

Frequently Asked Questions

What is the IUPAC name of 1-spiro[2.5]oct-6-en-6-ylethanamine?
The IUPAC name of 1-spiro[2.5]oct-6-en-6-ylethanamine (CID 123211232) is 1-spiro[2.5]oct-6-en-6-ylethanamine.
What is the SMILES notation for 1-spiro[2.5]oct-6-en-6-ylethanamine?
The canonical SMILES for 1-spiro[2.5]oct-6-en-6-ylethanamine is CC(N)C1=CCC2(CC1)CC2.
What is the InChIKey of 1-spiro[2.5]oct-6-en-6-ylethanamine?
The InChIKey is FQZONJFDDLWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(11)9-2-4-10(5-3-9)6-7-10/h2,8H,3-7,11H2,1H3.
What are the key properties of 1-spiro[2.5]oct-6-en-6-ylethanamine?
1-spiro[2.5]oct-6-en-6-ylethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2.5]oct-6-en-6-ylethanamine is sourced from PubChem (CID 123211232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).