2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H34N2 — CID 64735640

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC2CCC1C2
InChIInChI=1S/C18H34N2/c1-4-7-19-18-9-13(2)8-14(3)17(18)12-20-11-15-5-6-16(20)10-15/h13-19H,4-12H2,1-3H3
InChIKeyIUQCODJHRZHFOI-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64735640) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64735640
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC2CCC1C2
InChIInChI=1S/C18H34N2/c1-4-7-19-18-9-13(2)8-14(3)17(18)12-20-11-15-5-6-16(20)10-15/h13-19H,4-12H2,1-3H3
InChIKeyIUQCODJHRZHFOI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine
CID 62609112
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 64735235
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967290
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylcyclopentan-1-amine
CID 62610688

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64735640) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is IUQCODJHRZHFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-7-19-18-9-13(2)8-14(3)17(18)12-20-11-15-5-6-16(20)10-15/h13-19H,4-12H2,1-3H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).