4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine

C14H23NO — CID 123815021

IUPAC4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
SMILESC=CCCC(CCCN)C1=CCC=C(C)O1
InChIInChI=1S/C14H23NO/c1-3-4-8-13(9-6-11-15)14-10-5-7-12(2)16-14/h3,7,10,13H,1,4-6,8-9,11,15H2,2H3
InChIKeyQEMDEYWWGQSHGT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds7

About 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine

4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine (PubChem CID 123815021) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
PubChem CID123815021
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
SMILESC=CCCC(CCCN)C1=CCC=C(C)O1
InChIInChI=1S/C14H23NO/c1-3-4-8-13(9-6-11-15)14-10-5-7-12(2)16-14/h3,7,10,13H,1,4-6,8-9,11,15H2,2H3
InChIKeyQEMDEYWWGQSHGT-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
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

(4-Methoxycyclohex-3-en-1-yl)methanamine
CID 53231493
4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123241681
4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine
CID 123319213
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(2-Propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373211
3-[5-(4-Methoxybutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373348
3-[5-(2-Propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373360
2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine
CID 163786666
4-(5-Methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
CID 14768818
5-[(6-Methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455919

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?
The IUPAC name of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine (CID 123815021) is 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine.
What is the SMILES notation for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?
The canonical SMILES for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine is C=CCCC(CCCN)C1=CCC=C(C)O1.
What is the InChIKey of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?
The InChIKey is QEMDEYWWGQSHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-8-13(9-6-11-15)14-10-5-7-12(2)16-14/h3,7,10,13H,1,4-6,8-9,11,15H2,2H3.
What are the key properties of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?
4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine is sourced from PubChem (CID 123815021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).