1-(1-naphthalen-2-ylethyl)-1,4-diazepane

C17H22N2 — CID 61058086

IUPAC1-(1-naphthalen-2-ylethyl)-1,4-diazepane
SMILESCC(c1ccc2ccccc2c1)N1CCCNCC1
InChIInChI=1S/C17H22N2/c1-14(19-11-4-9-18-10-12-19)16-8-7-15-5-2-3-6-17(15)13-16/h2-3,5-8,13-14,18H,4,9-12H2,1H3
InChIKeySSPFFRGLLGNUGL-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.20
Rot. Bonds2

About 1-(1-naphthalen-2-ylethyl)-1,4-diazepane

1-(1-naphthalen-2-ylethyl)-1,4-diazepane (PubChem CID 61058086) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylethyl)-1,4-diazepane
PubChem CID61058086
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(1-naphthalen-2-ylethyl)-1,4-diazepane
SMILESCC(c1ccc2ccccc2c1)N1CCCNCC1
InChIInChI=1S/C17H22N2/c1-14(19-11-4-9-18-10-12-19)16-8-7-15-5-2-3-6-17(15)13-16/h2-3,5-8,13-14,18H,4,9-12H2,1H3
InChIKeySSPFFRGLLGNUGL-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
CID 116946784
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
CID 3816989
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
4-[1-(1,4-diazepan-1-yl)ethyl]phenol
CID 61057495
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
2-[1-(1,4-diazepan-1-yl)ethyl]-1H-indole
CID 90917557
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
5-[1-(1,4-diazepan-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 82500606
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylethyl)-1,4-diazepane?
The IUPAC name of 1-(1-naphthalen-2-ylethyl)-1,4-diazepane (CID 61058086) is 1-(1-naphthalen-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 1-(1-naphthalen-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 1-(1-naphthalen-2-ylethyl)-1,4-diazepane is CC(c1ccc2ccccc2c1)N1CCCNCC1.
What is the InChIKey of 1-(1-naphthalen-2-ylethyl)-1,4-diazepane?
The InChIKey is SSPFFRGLLGNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(19-11-4-9-18-10-12-19)16-8-7-15-5-2-3-6-17(15)13-16/h2-3,5-8,13-14,18H,4,9-12H2,1H3.
What are the key properties of 1-(1-naphthalen-2-ylethyl)-1,4-diazepane?
1-(1-naphthalen-2-ylethyl)-1,4-diazepane has a molecular weight of 254.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 61058086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).