3,7-dimethyl-1-octyl-1,4-diazepane

C15H32N2 — CID 64870958

IUPAC3,7-dimethyl-1-octyl-1,4-diazepane
SMILESCCCCCCCCN1CC(C)NCCC1C
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-12-17-13-14(2)16-11-10-15(17)3/h14-16H,4-13H2,1-3H3
InChIKeyHKAONCKVGXFXER-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About 3,7-dimethyl-1-octyl-1,4-diazepane

3,7-dimethyl-1-octyl-1,4-diazepane (PubChem CID 64870958) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,7-dimethyl-1-octyl-1,4-diazepane.

Molecular Properties

Compound Name3,7-dimethyl-1-octyl-1,4-diazepane
PubChem CID64870958
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,7-dimethyl-1-octyl-1,4-diazepane
SMILESCCCCCCCCN1CC(C)NCCC1C
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-12-17-13-14(2)16-11-10-15(17)3/h14-16H,4-13H2,1-3H3
InChIKeyHKAONCKVGXFXER-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
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

1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
1-heptyl-2-methylaziridine
CID 142378837
1-butyl-7-methyl-3-propyl-1,4-diazepane
CID 64870790
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
3,7-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64871954
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233
1-decyl-2,4,5-trimethylpiperazine
CID 3030120
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
1-butyl-2,5-dimethylpiperidine
CID 130702123
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-octyl-1,4-diazepane?
The IUPAC name of 3,7-dimethyl-1-octyl-1,4-diazepane (CID 64870958) is 3,7-dimethyl-1-octyl-1,4-diazepane.
What is the SMILES notation for 3,7-dimethyl-1-octyl-1,4-diazepane?
The canonical SMILES for 3,7-dimethyl-1-octyl-1,4-diazepane is CCCCCCCCN1CC(C)NCCC1C.
What is the InChIKey of 3,7-dimethyl-1-octyl-1,4-diazepane?
The InChIKey is HKAONCKVGXFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-6-7-8-9-12-17-13-14(2)16-11-10-15(17)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 3,7-dimethyl-1-octyl-1,4-diazepane?
3,7-dimethyl-1-octyl-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-octyl-1,4-diazepane is sourced from PubChem (CID 64870958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).