1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

C18H34N2 — CID 79562721

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(CC1CC2CCC1C2)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H34N2/c1-19-17(13-16-12-14-7-8-15(16)11-14)18(20(2)3)9-5-4-6-10-18/h14-17,19H,4-13H2,1-3H3
InChIKeyGKNXSNXNGUKSMM-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79562721) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79562721
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(CC1CC2CCC1C2)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H34N2/c1-19-17(13-16-12-14-7-8-15(16)11-14)18(20(2)3)9-5-4-6-10-18/h14-17,19H,4-13H2,1-3H3
InChIKeyGKNXSNXNGUKSMM-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
CID 79558765
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105012642
[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276430
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241451
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
N,N-dimethyl-1-[4-methyl-1-(methylamino)pentyl]cyclopentan-1-amine
CID 79070834
1-(2-cyclohexyl-1-hydrazinylethyl)-N,N-dimethylcycloheptan-1-amine
CID 105243794
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115821324
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79562721) is 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is CNC(CC1CC2CCC1C2)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is GKNXSNXNGUKSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-19-17(13-16-12-14-7-8-15(16)11-14)18(20(2)3)9-5-4-6-10-18/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79562721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).