2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C13H24N2 — CID 121477055

IUPAC2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CCCCC1
InChIInChI=1S/C13H24N2/c1-14-9-13-7-12(14)10-15(13)8-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyJGGAPKFAKRLJSV-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.96
Rot. Bonds2

About 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 121477055) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID121477055
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CCCCC1
InChIInChI=1S/C13H24N2/c1-14-9-13-7-12(14)10-15(13)8-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyJGGAPKFAKRLJSV-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 162982738
1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 58400596
lithium (1S,3R,4R)-3-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-2-azanidabicyclo[2.2.1]heptane
CID 101377044
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 20800744
1-(Cyclohexylmethyl)-4-propan-2-ylpiperazine
CID 21303255
2,6-Diethyl-1-azabicyclo[2.2.1]heptane
CID 21354306
2-Ethyl-1-propyl-1-azoniabicyclo[2.2.1]heptane
CID 21354428
(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 58591717
2-Methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane
CID 59229824
2-Methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 59229834
1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 68643506
1,6-Dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 70644922

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 121477055) is 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JGGAPKFAKRLJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-14-9-13-7-12(14)10-15(13)8-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 208.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 121477055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).