2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane

C15H22N2 — CID 67829794

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
SMILESc1ccc2c(c1)CCCC2C1CNCCCN1
InChIInChI=1S/C15H22N2/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16-9-4-10-17-15/h1-2,5,7,14-17H,3-4,6,8-11H2
InChIKeyKABBAHNVFNLSGW-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.06
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane (PubChem CID 67829794) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
PubChem CID67829794
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
SMILESc1ccc2c(c1)CCCC2C1CNCCCN1
InChIInChI=1S/C15H22N2/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16-9-4-10-17-15/h1-2,5,7,14-17H,3-4,6,8-11H2
InChIKeyKABBAHNVFNLSGW-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
CID 55111676
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
CID 123727569
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
(4aS,7aS)-6-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678936
5-(oxan-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 146304906
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane (CID 67829794) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane is c1ccc2c(c1)CCCC2C1CNCCCN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane?
The InChIKey is KABBAHNVFNLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-7-13-12(5-1)6-3-8-14(13)15-11-16-9-4-10-17-15/h1-2,5,7,14-17H,3-4,6,8-11H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane has a molecular weight of 230.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane is sourced from PubChem (CID 67829794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).