(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine

C14H23N — CID 123852554

IUPAC(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine
SMILESCC=C/C=C1/CCCCN=C1C(C)CC
InChIInChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,12H,5,7-8,10-11H2,1-3H3/b6-4?,13-9-
InChIKeyPJHNRYMKSRGMBM-PPUCDNHWSA-N
MW205.35 g/mol
LogP4.16
Rot. Bonds3

About (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine

(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine (PubChem CID 123852554) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine.

Molecular Properties

Compound Name(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine
PubChem CID123852554
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine
SMILESCC=C/C=C1/CCCCN=C1C(C)CC
InChIInChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,12H,5,7-8,10-11H2,1-3H3/b6-4?,13-9-
InChIKeyPJHNRYMKSRGMBM-PPUCDNHWSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
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Lanopylin A2
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(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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2-butyl-3-ethyl-6-fluoro-3H-azepine
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3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
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(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
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5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine?
The IUPAC name of (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine (CID 123852554) is (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine.
What is the SMILES notation for (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine?
The canonical SMILES for (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine is CC=C/C=C1/CCCCN=C1C(C)CC.
What is the InChIKey of (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine?
The InChIKey is PJHNRYMKSRGMBM-PPUCDNHWSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-9-13-10-7-8-11-15-14(13)12(3)5-2/h4,6,9,12H,5,7-8,10-11H2,1-3H3/b6-4?,13-9-.
What are the key properties of (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine?
(6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine has a molecular weight of 205.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-butan-2-yl-6-but-2-enylidene-2,3,4,5-tetrahydroazepine is sourced from PubChem (CID 123852554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).