3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane

C15H30N2 — CID 64944435

IUPAC3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
SMILESCCCC1CCC(N2CCCNC(C)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-8-15(9-7-14)17-11-4-10-16-13(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyKHAOPVSRZPAQNL-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane

3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane (PubChem CID 64944435) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
PubChem CID64944435
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
SMILESCCCC1CCC(N2CCCNC(C)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-8-15(9-7-14)17-11-4-10-16-13(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyKHAOPVSRZPAQNL-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane?
The IUPAC name of 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane (CID 64944435) is 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane?
The canonical SMILES for 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane is CCCC1CCC(N2CCCNC(C)C2)CC1.
What is the InChIKey of 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane?
The InChIKey is KHAOPVSRZPAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-14-6-8-15(9-7-14)17-11-4-10-16-13(2)12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane?
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane is sourced from PubChem (CID 64944435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).