3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane

C15H30N2 — CID 64949999

IUPAC3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1(CC)CN(C2CCCC2C)CCCN1
InChIInChI=1S/C15H30N2/c1-4-15(5-2)12-17(11-7-10-16-15)14-9-6-8-13(14)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFLTMNNHOAAGXDD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane

3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane (PubChem CID 64949999) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
PubChem CID64949999
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1(CC)CN(C2CCCC2C)CCCN1
InChIInChI=1S/C15H30N2/c1-4-15(5-2)12-17(11-7-10-16-15)14-9-6-8-13(14)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFLTMNNHOAAGXDD-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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Related Compounds

1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine
CID 75383148
rac-(5aR,8aS)-1,5a-dimethyl-decahydrocyclopenta(e)(1,4)diazepine
CID 165998476
1,4,6-Trimethyln-(2-pyrrolidinylethyl)-1,4-diazepane-6-amine
CID 171904768
9-Methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane
CID 64870018
9-Methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane
CID 64871202
10-(2,2-Difluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64872193
(8-anti)-N,N-Dimethyl-3-azabicyclo[3.2.1]octan-8-amine
CID 71692391
10-(2-Fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 80696612
10-(2-Fluoroethyl)-6,10-diazaspiro[4.6]undecane
CID 80697586
10-(3-Fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
10-(3-Fluoropropyl)-6,10-diazaspiro[4.6]undecane
CID 81113847
1-(1-Methylcyclopentyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372066

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane (CID 64949999) is 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane is CCC1(CC)CN(C2CCCC2C)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane?
The InChIKey is FLTMNNHOAAGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(5-2)12-17(11-7-10-16-15)14-9-6-8-13(14)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane?
3,3-diethyl-1-(2-methylcyclopentyl)-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 3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64949999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).