N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C18H32N2 — CID 103276618

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCC1=CC(C)CC(CNCC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C18H32N2/c1-13-6-14(2)8-15(7-13)11-19-12-16-9-17-4-5-18(10-16)20(17)3/h6,13,15-19H,4-5,7-12H2,1-3H3
InChIKeyHLUIEJUDFXCOJM-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.44
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 103276618) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID103276618
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCC1=CC(C)CC(CNCC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C18H32N2/c1-13-6-14(2)8-15(7-13)11-19-12-16-9-17-4-5-18(10-16)20(17)3/h6,13,15-19H,4-5,7-12H2,1-3H3
InChIKeyHLUIEJUDFXCOJM-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087
3-[[5-ethenyl-2-ethyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-8-azabicyclo[3.2.1]octane
CID 164867886
3-(Cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106655030
3-(Cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106655031
3-Fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
CID 112564532
3-(Cycloocten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 113860680
3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 114490094
(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine
CID 143062711
1,7-di(cyclohex-2-en-1-yl)-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 68124406
1-pentyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-pyrrolo[3,4-f]quinoline
CID 68147742
(3Z)-5-[(Z)-3-cyclohex-3-en-1-yl-4-methylhept-5-enyl]-2,7-dimethyl-3-propylidene-1,2,3a,6,7,7a-hexahydroindole
CID 68231227
(2R)-6-(1,4,4a,5,6,7,8,9,10,11a-decahydrobenzo[b][1]benzazepin-11-yl)hexan-2-amine
CID 68265615

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 103276618) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CC1=CC(C)CC(CNCC2CC3CCC(C2)N3C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is HLUIEJUDFXCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-6-14(2)8-15(7-13)11-19-12-16-9-17-4-5-18(10-16)20(17)3/h6,13,15-19H,4-5,7-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 276.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 103276618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).