1-azacycloheptadec-17-ene

C16H31N — CID 91001176

IUPAC1-azacycloheptadec-17-ene
SMILESC1=N\CCCCCCCCCCCCCCC/1
InChIInChI=1S/C16H31N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h15H,1-14,16H2/b17-15-
InChIKeyNMHWJGIZRXRHHR-ICFOKQHNSA-N
MW237.43 g/mol
LogP5.53
Rot. Bonds

About 1-azacycloheptadec-17-ene

1-azacycloheptadec-17-ene (PubChem CID 91001176) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-azacycloheptadec-17-ene.

Molecular Properties

Compound Name1-azacycloheptadec-17-ene
PubChem CID91001176
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-azacycloheptadec-17-ene
SMILESC1=N\CCCCCCCCCCCCCCC/1
InChIInChI=1S/C16H31N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h15H,1-14,16H2/b17-15-
InChIKeyNMHWJGIZRXRHHR-ICFOKQHNSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6,7,8,9-octahydroazecine
CID 57054376
cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
CID 158937421
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774
1-azacyclododecen-6-one
CID 155759286
1-azacycloheptadec-17-ene-6-carboxamide
CID 175481376
3,4-dihydro-2H-pyrrole;ethane;propane
CID 143814919
4,5,6,7-tetrahydrodiazocine
CID 91529260
(2Z)-1,2,3,4,5-pentazacyclotrideca-2,4,13-triene
CID 173088356
1-azacyclododeca-11,12-diene
CID 174857129
(5S)-5-methyl-2,3,4,5,6,7-hexahydroazocine
CID 178126043
2,3,6,7-tetrahydro-1,4-thiazepine 1,1-dioxide
CID 22562113
benzene;cyclohepta-1,3,5-triene;cyclohexa-1,4-diene;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;3,4-dihydro-2H-pyrrole;2H-pyrrole
CID 161157658

Frequently Asked Questions

What is the IUPAC name of 1-azacycloheptadec-17-ene?
The IUPAC name of 1-azacycloheptadec-17-ene (CID 91001176) is 1-azacycloheptadec-17-ene.
What is the SMILES notation for 1-azacycloheptadec-17-ene?
The canonical SMILES for 1-azacycloheptadec-17-ene is C1=N\CCCCCCCCCCCCCCC/1.
What is the InChIKey of 1-azacycloheptadec-17-ene?
The InChIKey is NMHWJGIZRXRHHR-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H31N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h15H,1-14,16H2/b17-15-.
What are the key properties of 1-azacycloheptadec-17-ene?
1-azacycloheptadec-17-ene has a molecular weight of 237.43 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacycloheptadec-17-ene is sourced from PubChem (CID 91001176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).