3,3-dimethyl-1-octan-2-yl-1,4-diazepane

C15H32N2 — CID 64943236

IUPAC3,3-dimethyl-1-octan-2-yl-1,4-diazepane
SMILESCCCCCCC(C)N1CCCNC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-10-14(2)17-12-9-11-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3
InChIKeyADEGZNVPAPYKML-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds6

About 3,3-dimethyl-1-octan-2-yl-1,4-diazepane

3,3-dimethyl-1-octan-2-yl-1,4-diazepane (PubChem CID 64943236) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-octan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name3,3-dimethyl-1-octan-2-yl-1,4-diazepane
PubChem CID64943236
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,3-dimethyl-1-octan-2-yl-1,4-diazepane
SMILESCCCCCCC(C)N1CCCNC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-10-14(2)17-12-9-11-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3
InChIKeyADEGZNVPAPYKML-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

11-hexan-2-yl-7,11-diazaspiro[5.6]dodecane
CID 64949563
1-octan-2-yl-1,4-diazepane
CID 61057071
1-dodecan-2-ylpyrrolidine
CID 70871228
1-hexan-2-yl-3-methyl-3-phenyl-1,4-diazepane
CID 64950353
3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
CID 64954024
3,3-dimethyl-1-(3-methylbutan-2-yl)-1,4-diazepane
CID 64944708
1-hexan-2-yl-1,5-diazocane
CID 62200653
1-heptan-2-ylpiperazine
CID 61464712
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
CID 114267629
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-octan-2-yl-1,4-diazepane?
The IUPAC name of 3,3-dimethyl-1-octan-2-yl-1,4-diazepane (CID 64943236) is 3,3-dimethyl-1-octan-2-yl-1,4-diazepane.
What is the SMILES notation for 3,3-dimethyl-1-octan-2-yl-1,4-diazepane?
The canonical SMILES for 3,3-dimethyl-1-octan-2-yl-1,4-diazepane is CCCCCCC(C)N1CCCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-octan-2-yl-1,4-diazepane?
The InChIKey is ADEGZNVPAPYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-8-10-14(2)17-12-9-11-16-15(3,4)13-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-octan-2-yl-1,4-diazepane?
3,3-dimethyl-1-octan-2-yl-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-octan-2-yl-1,4-diazepane is sourced from PubChem (CID 64943236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).