1-decyl-3-ethyl-7-methyl-1,4-diazepane

C18H38N2 — CID 64869451

IUPAC1-decyl-3-ethyl-7-methyl-1,4-diazepane
SMILESCCCCCCCCCCN1CC(CC)NCCC1C
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-11-12-15-20-16-18(5-2)19-14-13-17(20)3/h17-19H,4-16H2,1-3H3
InChIKeyCWFANJIYCZPHLO-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds10

About 1-decyl-3-ethyl-7-methyl-1,4-diazepane

1-decyl-3-ethyl-7-methyl-1,4-diazepane (PubChem CID 64869451) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-decyl-3-ethyl-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-decyl-3-ethyl-7-methyl-1,4-diazepane
PubChem CID64869451
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-decyl-3-ethyl-7-methyl-1,4-diazepane
SMILESCCCCCCCCCCN1CC(CC)NCCC1C
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-11-12-15-20-16-18(5-2)19-14-13-17(20)3/h17-19H,4-16H2,1-3H3
InChIKeyCWFANJIYCZPHLO-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
1-butyl-7-methyl-3-propyl-1,4-diazepane
CID 64870790
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-7-methyl-1,4-diazepane
CID 103184619
1-heptyl-2-methylaziridine
CID 142378837
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
3-ethyl-7-methyl-1-(3-methylbut-2-enyl)-1,4-diazepane
CID 107901957
5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
CID 107818456
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
3-ethyl-1-pentylpiperazine
CID 64832988
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-ethyl-7-methyl-1,4-diazepane?
The IUPAC name of 1-decyl-3-ethyl-7-methyl-1,4-diazepane (CID 64869451) is 1-decyl-3-ethyl-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-decyl-3-ethyl-7-methyl-1,4-diazepane?
The canonical SMILES for 1-decyl-3-ethyl-7-methyl-1,4-diazepane is CCCCCCCCCCN1CC(CC)NCCC1C.
What is the InChIKey of 1-decyl-3-ethyl-7-methyl-1,4-diazepane?
The InChIKey is CWFANJIYCZPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-6-7-8-9-10-11-12-15-20-16-18(5-2)19-14-13-17(20)3/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-decyl-3-ethyl-7-methyl-1,4-diazepane?
1-decyl-3-ethyl-7-methyl-1,4-diazepane has a molecular weight of 282.52 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-ethyl-7-methyl-1,4-diazepane is sourced from PubChem (CID 64869451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).