1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane

C17H34N2 — CID 82936957

IUPAC1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CCCCCC2)C(C)CCN1
InChIInChI=1S/C17H34N2/c1-4-17(5-2)14-19(15(3)12-13-18-17)16-10-8-6-7-9-11-16/h15-16,18H,4-14H2,1-3H3
InChIKeyWNQWTWJIEKJKBM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds3

About 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane

1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane (PubChem CID 82936957) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane
PubChem CID82936957
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CCCCCC2)C(C)CCN1
InChIInChI=1S/C17H34N2/c1-4-17(5-2)14-19(15(3)12-13-18-17)16-10-8-6-7-9-11-16/h15-16,18H,4-14H2,1-3H3
InChIKeyWNQWTWJIEKJKBM-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64930017
2,5,5-triethyl-1-(3-methylcyclohexyl)piperazine
CID 64935770
1-(1-cyclopropylpyrrolidin-3-yl)-5,5-diethyl-2-methylpiperazine
CID 64946348
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
1-cyclopentyl-3,3-diethyl-1,4-diazaspiro[5.5]undecane
CID 82937126
3,3-diethyl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane
CID 64871817
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 116524616
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
3,3-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-7-methyl-1,4-diazepane
CID 64871839
3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65471123

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane?
The IUPAC name of 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane (CID 82936957) is 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane?
The canonical SMILES for 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane is CCC1(CC)CN(C2CCCCCC2)C(C)CCN1.
What is the InChIKey of 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane?
The InChIKey is WNQWTWJIEKJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-17(5-2)14-19(15(3)12-13-18-17)16-10-8-6-7-9-11-16/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane?
1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane has a molecular weight of 266.47 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3,3-diethyl-7-methyl-1,4-diazepane is sourced from PubChem (CID 82936957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).