2-hept-1-ynyl-1-methylazepane

C14H25N — CID 15627450

IUPAC2-hept-1-ynyl-1-methylazepane
SMILESCCCCCC#CC1CCCCCN1C
InChIInChI=1S/C14H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13-15(14)2/h14H,3-7,9-10,12-13H2,1-2H3
InChIKeyFCNWYIAQPLAPSW-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.44
Rot. Bonds3

About 2-hept-1-ynyl-1-methylazepane

2-hept-1-ynyl-1-methylazepane (PubChem CID 15627450) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-hept-1-ynyl-1-methylazepane.

Molecular Properties

Compound Name2-hept-1-ynyl-1-methylazepane
PubChem CID15627450
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-hept-1-ynyl-1-methylazepane
SMILESCCCCCC#CC1CCCCCN1C
InChIInChI=1S/C14H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13-15(14)2/h14H,3-7,9-10,12-13H2,1-2H3
InChIKeyFCNWYIAQPLAPSW-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-1-ynyl-1-methylpyrrolidine
CID 77405120
dodec-1-ynylcycloheptane
CID 11579803
(5S,9aR)-5-hex-1-ynyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101105437
1-[3-[(2S)-1-methylpiperidin-2-yl]prop-2-ynyl]pyrrolidine-2,5-dione
CID 67920513
dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656
ethane;1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole;octane
CID 143140739
1-methyl-2-pentoxypiperidine
CID 174740855
N-decyl-1-methylpiperidin-2-amine
CID 151113858
2-oct-1-ynyloxolane
CID 15274342
1-hex-1-ynylpiperidine
CID 134987420
2-methyl-1-pentylazepane
CID 134994557
2-hept-1-ynyl-1,3-dithiane
CID 135076855

Frequently Asked Questions

What is the IUPAC name of 2-hept-1-ynyl-1-methylazepane?
The IUPAC name of 2-hept-1-ynyl-1-methylazepane (CID 15627450) is 2-hept-1-ynyl-1-methylazepane.
What is the SMILES notation for 2-hept-1-ynyl-1-methylazepane?
The canonical SMILES for 2-hept-1-ynyl-1-methylazepane is CCCCCC#CC1CCCCCN1C.
What is the InChIKey of 2-hept-1-ynyl-1-methylazepane?
The InChIKey is FCNWYIAQPLAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-6-8-11-14-12-9-7-10-13-15(14)2/h14H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 2-hept-1-ynyl-1-methylazepane?
2-hept-1-ynyl-1-methylazepane has a molecular weight of 207.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-1-ynyl-1-methylazepane is sourced from PubChem (CID 15627450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).