1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane

C17H22N2 — CID 763185

IUPAC1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane
SMILESCN1CCCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2/c1-18-10-5-11-19(13-12-18)14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9H,5,10-14H2,1H3
InChIKeyGJDFNBFJNARFOE-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds2

About 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane

1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane (PubChem CID 763185) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane
PubChem CID763185
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane
SMILESCN1CCCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2/c1-18-10-5-11-19(13-12-18)14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9H,5,10-14H2,1H3
InChIKeyGJDFNBFJNARFOE-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane (CID 763185) is 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane is CN1CCCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane?
The InChIKey is GJDFNBFJNARFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-18-10-5-11-19(13-12-18)14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9H,5,10-14H2,1H3.
What are the key properties of 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane?
1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane has a molecular weight of 254.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(naphthalen-1-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 763185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).