1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane

C15H30N2 — CID 64950758

IUPAC1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane
SMILESCC(C1CCCCC1)N1CCCNC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-13(14-8-5-4-6-9-14)17-11-7-10-16-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyPYEPUROCZJSGKJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds2

About 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane

1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane (PubChem CID 64950758) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane
PubChem CID64950758
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane
SMILESCC(C1CCCCC1)N1CCCNC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-13(14-8-5-4-6-9-14)17-11-7-10-16-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyPYEPUROCZJSGKJ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64945119
3,3-dimethyl-1-(3-methylbutan-2-yl)-1,4-diazepane
CID 64944708
1-(1-cyclopentylethyl)-3-cyclopropyl-3-methylpiperazine
CID 64953435
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
1-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethyl-1,4-diazepane
CID 65053715
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-[1-(1-cyclohexylethyl)piperidin-4-yl]ethanamine
CID 63596713
bis(4-(1-pyrrolidin-1-ylethyl)piperidine);hydrate;tetrahydrochloride
CID 53398924

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane (CID 64950758) is 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane is CC(C1CCCCC1)N1CCCNC(C)(C)C1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane?
The InChIKey is PYEPUROCZJSGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(14-8-5-4-6-9-14)17-11-7-10-16-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane?
1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 64950758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).