(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane

C18H27N — CID 141010312

IUPAC(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
SMILESCCN1CCC[C@@H](C2CCCc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-2-19-13-6-9-16(12-14-19)18-11-5-8-15-7-3-4-10-17(15)18/h3-4,7,10,16,18H,2,5-6,8-9,11-14H2,1H3/t16-,18?/m1/s1
InChIKeyRSKSGBLRCBGKSY-PYUWXLGESA-N
MW257.42 g/mol
LogP4.23
Rot. Bonds2

About (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane

(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane (PubChem CID 141010312) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane.

Molecular Properties

Compound Name(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
PubChem CID141010312
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
SMILESCCN1CCC[C@@H](C2CCCc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-2-19-13-6-9-16(12-14-19)18-11-5-8-15-7-3-4-10-17(15)18/h3-4,7,10,16,18H,2,5-6,8-9,11-14H2,1H3/t16-,18?/m1/s1
InChIKeyRSKSGBLRCBGKSY-PYUWXLGESA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
1-[4-(4-chlorophenyl)cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 123892030
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 21135993
(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 15751777

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The IUPAC name of (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane (CID 141010312) is (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane.
What is the SMILES notation for (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The canonical SMILES for (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane is CCN1CCC[C@@H](C2CCCc3ccccc32)CC1.
What is the InChIKey of (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The InChIKey is RSKSGBLRCBGKSY-PYUWXLGESA-N. The full InChI is InChI=1S/C18H27N/c1-2-19-13-6-9-16(12-14-19)18-11-5-8-15-7-3-4-10-17(15)18/h3-4,7,10,16,18H,2,5-6,8-9,11-14H2,1H3/t16-,18?/m1/s1.
What are the key properties of (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
(4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane has a molecular weight of 257.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane is sourced from PubChem (CID 141010312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).