1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane

C23H30N2 — CID 70273162

IUPAC1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
SMILESCCc1ccccc1N1CCCN([C@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C23H30N2/c1-2-19-9-4-6-13-22(19)24-15-8-16-25(18-17-24)23-14-7-11-20-10-3-5-12-21(20)23/h3-6,9-10,12-13,23H,2,7-8,11,14-18H2,1H3/t23-/m0/s1
InChIKeyRGPAUVXGFGXMFC-QHCPKHFHSA-N
MW334.51 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane

1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane (PubChem CID 70273162) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
PubChem CID70273162
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
SMILESCCc1ccccc1N1CCCN([C@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C23H30N2/c1-2-19-9-4-6-13-22(19)24-15-8-16-25(18-17-24)23-14-7-11-20-10-3-5-12-21(20)23/h3-6,9-10,12-13,23H,2,7-8,11,14-18H2,1H3/t23-/m0/s1
InChIKeyRGPAUVXGFGXMFC-QHCPKHFHSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 95235089
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316210
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 140718493
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The IUPAC name of 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane (CID 70273162) is 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane.
What is the SMILES notation for 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The canonical SMILES for 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane is CCc1ccccc1N1CCCN([C@H]2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The InChIKey is RGPAUVXGFGXMFC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N2/c1-2-19-9-4-6-13-22(19)24-15-8-16-25(18-17-24)23-14-7-11-20-10-3-5-12-21(20)23/h3-6,9-10,12-13,23H,2,7-8,11,14-18H2,1H3/t23-/m0/s1.
What are the key properties of 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane has a molecular weight of 334.51 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane is sourced from PubChem (CID 70273162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).