3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane

C15H30N2 — CID 114102096

IUPAC3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
SMILESCCC1CN(C2CCCC(C)CC2)CCCN1
InChIInChI=1S/C15H30N2/c1-3-14-12-17(11-5-10-16-14)15-7-4-6-13(2)8-9-15/h13-16H,3-12H2,1-2H3
InChIKeyJTFMEAYJBCUORA-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds2

About 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane

3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane (PubChem CID 114102096) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
PubChem CID114102096
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
SMILESCCC1CN(C2CCCC(C)CC2)CCCN1
InChIInChI=1S/C15H30N2/c1-3-14-12-17(11-5-10-16-14)15-7-4-6-13(2)8-9-15/h13-16H,3-12H2,1-2H3
InChIKeyJTFMEAYJBCUORA-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

1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
CID 64949456
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
3-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-1,4-diazepane
CID 64949634
3-(3-propyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944268
1-cyclooctyl-3-propylpiperazine
CID 64924184
3-benzyl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943337
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868
1-(3-methylsulfanylcyclohexyl)-3-propyl-1,4-diazepane
CID 114122783
3-butan-2-yl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943533

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane (CID 114102096) is 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane is CCC1CN(C2CCCC(C)CC2)CCCN1.
What is the InChIKey of 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane?
The InChIKey is JTFMEAYJBCUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-14-12-17(11-5-10-16-14)15-7-4-6-13(2)8-9-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane?
3-ethyl-1-(4-methylcycloheptyl)-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 3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane is sourced from PubChem (CID 114102096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).