1-cycloheptyl-3-cyclohexyl-1,4-diazepane

C18H34N2 — CID 64945306

IUPAC1-cycloheptyl-3-cyclohexyl-1,4-diazepane
SMILESC1CCC(C2CN(C3CCCCCC3)CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-2-7-12-17(11-6-1)20-14-8-13-19-18(15-20)16-9-4-3-5-10-16/h16-19H,1-15H2
InChIKeyNJSHSBLZFDZREH-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds2

About 1-cycloheptyl-3-cyclohexyl-1,4-diazepane

1-cycloheptyl-3-cyclohexyl-1,4-diazepane (PubChem CID 64945306) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-cycloheptyl-3-cyclohexyl-1,4-diazepane.

Molecular Properties

Compound Name1-cycloheptyl-3-cyclohexyl-1,4-diazepane
PubChem CID64945306
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-cycloheptyl-3-cyclohexyl-1,4-diazepane
SMILESC1CCC(C2CN(C3CCCCCC3)CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-2-7-12-17(11-6-1)20-14-8-13-19-18(15-20)16-9-4-3-5-10-16/h16-19H,1-15H2
InChIKeyNJSHSBLZFDZREH-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
CID 64942966
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82931358
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444
3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
CID 64943423
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678458
3-cyclohexyl-1-(3-ethylcyclohexyl)piperazine
CID 64953854
1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
CID 112714709
3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 107854036
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678482
6-(1-methylazepan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678465

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-cyclohexyl-1,4-diazepane?
The IUPAC name of 1-cycloheptyl-3-cyclohexyl-1,4-diazepane (CID 64945306) is 1-cycloheptyl-3-cyclohexyl-1,4-diazepane.
What is the SMILES notation for 1-cycloheptyl-3-cyclohexyl-1,4-diazepane?
The canonical SMILES for 1-cycloheptyl-3-cyclohexyl-1,4-diazepane is C1CCC(C2CN(C3CCCCCC3)CCCN2)CC1.
What is the InChIKey of 1-cycloheptyl-3-cyclohexyl-1,4-diazepane?
The InChIKey is NJSHSBLZFDZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-7-12-17(11-6-1)20-14-8-13-19-18(15-20)16-9-4-3-5-10-16/h16-19H,1-15H2.
What are the key properties of 1-cycloheptyl-3-cyclohexyl-1,4-diazepane?
1-cycloheptyl-3-cyclohexyl-1,4-diazepane has a molecular weight of 278.48 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-cyclohexyl-1,4-diazepane is sourced from PubChem (CID 64945306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).