1-(oxolan-2-yl)oct-7-en-3-amine

C12H23NO — CID 104986882

IUPAC1-(oxolan-2-yl)oct-7-en-3-amine
SMILESC=CCCCC(N)CCC1CCCO1
InChIInChI=1S/C12H23NO/c1-2-3-4-6-11(13)8-9-12-7-5-10-14-12/h2,11-12H,1,3-10,13H2
InChIKeyARTOAPQRRIHILA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds7

About 1-(oxolan-2-yl)oct-7-en-3-amine

1-(oxolan-2-yl)oct-7-en-3-amine (PubChem CID 104986882) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(oxolan-2-yl)oct-7-en-3-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)oct-7-en-3-amine
PubChem CID104986882
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(oxolan-2-yl)oct-7-en-3-amine
SMILESC=CCCCC(N)CCC1CCCO1
InChIInChI=1S/C12H23NO/c1-2-3-4-6-11(13)8-9-12-7-5-10-14-12/h2,11-12H,1,3-10,13H2
InChIKeyARTOAPQRRIHILA-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
1-(Oxolan-2-yl)but-3-en-1-amine
CID 65331260
1-(Oxolan-2-yl)but-3-en-2-amine
CID 65575949
1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136
N-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380669
N-ethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380670
1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 61380681
N-methyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297423
N-methyl-1-(oxolan-2-yl)hex-5-en-2-amine
CID 64297424
N-ethyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297425

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)oct-7-en-3-amine?
The IUPAC name of 1-(oxolan-2-yl)oct-7-en-3-amine (CID 104986882) is 1-(oxolan-2-yl)oct-7-en-3-amine.
What is the SMILES notation for 1-(oxolan-2-yl)oct-7-en-3-amine?
The canonical SMILES for 1-(oxolan-2-yl)oct-7-en-3-amine is C=CCCCC(N)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)oct-7-en-3-amine?
The InChIKey is ARTOAPQRRIHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-6-11(13)8-9-12-7-5-10-14-12/h2,11-12H,1,3-10,13H2.
What are the key properties of 1-(oxolan-2-yl)oct-7-en-3-amine?
1-(oxolan-2-yl)oct-7-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)oct-7-en-3-amine is sourced from PubChem (CID 104986882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).