(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane

C17H23N — CID 103983683

IUPAC(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCCc2ccccc21
InChIInChI=1S/C17H23N/c1-2-9-17-15(6-1)7-3-8-16(17)13-14-5-4-11-18-12-10-14/h1-2,6,9,13,16,18H,3-5,7-8,10-12H2/b14-13-
InChIKeyRDSRFAGYGXMLLZ-YPKPFQOOSA-N
MW241.38 g/mol
LogP3.81
Rot. Bonds1

About (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane

(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane (PubChem CID 103983683) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane.

Molecular Properties

Compound Name(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane
PubChem CID103983683
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane
SMILESC(=C1/CCCNCC1)\C1CCCc2ccccc21
InChIInChI=1S/C17H23N/c1-2-9-17-15(6-1)7-3-8-16(17)13-14-5-4-11-18-12-10-14/h1-2,6,9,13,16,18H,3-5,7-8,10-12H2/b14-13-
InChIKeyRDSRFAGYGXMLLZ-YPKPFQOOSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
CID 154243339
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
4-[1-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperidine
CID 112563779
1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
CID 70411002
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
CID 67829794
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
CID 59863888
CID 59863888
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane?
The IUPAC name of (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane (CID 103983683) is (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane.
What is the SMILES notation for (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane?
The canonical SMILES for (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane is C(=C1/CCCNCC1)\C1CCCc2ccccc21.
What is the InChIKey of (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane?
The InChIKey is RDSRFAGYGXMLLZ-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H23N/c1-2-9-17-15(6-1)7-3-8-16(17)13-14-5-4-11-18-12-10-14/h1-2,6,9,13,16,18H,3-5,7-8,10-12H2/b14-13-.
What are the key properties of (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane?
(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane has a molecular weight of 241.38 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane is sourced from PubChem (CID 103983683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).