4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine

C13H24N2 — CID 139592833

IUPAC4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCN(CC12CCC(N)(CC1)CC2)C1CC1
InChIInChI=1S/C13H24N2/c1-15(11-2-3-11)10-12-4-7-13(14,8-5-12)9-6-12/h11H,2-10,14H2,1H3
InChIKeyNVDSOXNDAKZTLO-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.13
Rot. Bonds3

About 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine

4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 139592833) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID139592833
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCN(CC12CCC(N)(CC1)CC2)C1CC1
InChIInChI=1S/C13H24N2/c1-15(11-2-3-11)10-12-4-7-13(14,8-5-12)9-6-12/h11H,2-10,14H2,1H3
InChIKeyNVDSOXNDAKZTLO-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methylpropyl)bicyclo[2.2.2]octan-1-amine
CID 57917161
4-methyl-N-propan-2-ylbicyclo[2.2.2]octan-1-amine
CID 59833033
4-(Methylaminomethyl)bicyclo[2.2.2]octan-1-amine
CID 70319224
4-methyl-N-propylbicyclo[2.2.2]octan-1-amine
CID 70337302
N-ethyl-4-methylbicyclo[2.2.2]octan-1-amine
CID 118585798
4-methyl-N,N-dipropylbicyclo[2.2.2]octan-1-amine
CID 45097812
N-[2-(1-aminocyclohexyl)ethyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80229035
4-Dimethylaminomethyl-bicyclo[2.2.2]oct-1-ylamine
CID 117590655
4-(Aminomethyl)-N,N-dimethylbicyclo[2.2.2]octan-1-amine
CID 129600888
4-((Isopropyl(methyl)amino)methyl)bicyclo[2.2.2]octan-1-amine
CID 139592834
4-(Pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine
CID 139592835
4-((Diethylamino)methyl)bicyclo[2.2.2]octan-1-amine
CID 139592836

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine (CID 139592833) is 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine is CN(CC12CCC(N)(CC1)CC2)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is NVDSOXNDAKZTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-15(11-2-3-11)10-12-4-7-13(14,8-5-12)9-6-12/h11H,2-10,14H2,1H3.
What are the key properties of 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine?
4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(methyl)amino]methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 139592833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).