3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane

C19H26N2 — CID 64871720

IUPAC3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
SMILESCCC1(C)CN(Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C19H26N2/c1-3-19(2)15-21(13-7-12-20-19)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,20H,3,7,12-15H2,1-2H3
InChIKeyBCZBBXBQKOBRKG-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.80
Rot. Bonds3

About 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane

3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane (PubChem CID 64871720) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
PubChem CID64871720
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
SMILESCCC1(C)CN(Cc2cccc3ccccc23)CCCN1
InChIInChI=1S/C19H26N2/c1-3-19(2)15-21(13-7-12-20-19)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,20H,3,7,12-15H2,1-2H3
InChIKeyBCZBBXBQKOBRKG-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
1-[(4-tert-butylphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64870731
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871927
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
CID 64949149
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
3-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane
CID 64948988
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 106273530
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane (CID 64871720) is 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane is CCC1(C)CN(Cc2cccc3ccccc23)CCCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane?
The InChIKey is BCZBBXBQKOBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-19(2)15-21(13-7-12-20-19)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,20H,3,7,12-15H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane?
3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane has a molecular weight of 282.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64871720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).