4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine

C15H25NO — CID 123241681

IUPAC4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
SMILESC=CCCC(CCCN)C1=CCC(C)=C(C)O1
InChIInChI=1S/C15H25NO/c1-4-5-7-14(8-6-11-16)15-10-9-12(2)13(3)17-15/h4,10,14H,1,5-9,11,16H2,2-3H3
InChIKeyPIHSCSUZRJABPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.91
Rot. Bonds7

About 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine

4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine (PubChem CID 123241681) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
PubChem CID123241681
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
SMILESC=CCCC(CCCN)C1=CCC(C)=C(C)O1
InChIInChI=1S/C15H25NO/c1-4-5-7-14(8-6-11-16)15-10-9-12(2)13(3)17-15/h4,10,14H,1,5-9,11,16H2,2-3H3
InChIKeyPIHSCSUZRJABPF-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.91
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
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531
4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123815021
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-(2-Propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373360
(4E,6E)-4-ethylidene-6-methoxy-3-propylnona-6,8-dien-1-amine
CID 144319518
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-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine?
The IUPAC name of 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine (CID 123241681) is 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine.
What is the SMILES notation for 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine?
The canonical SMILES for 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine is C=CCCC(CCCN)C1=CCC(C)=C(C)O1.
What is the InChIKey of 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine?
The InChIKey is PIHSCSUZRJABPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-7-14(8-6-11-16)15-10-9-12(2)13(3)17-15/h4,10,14H,1,5-9,11,16H2,2-3H3.
What are the key properties of 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine?
4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine is sourced from PubChem (CID 123241681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).