N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine

C13H23N — CID 144522331

IUPACN,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine
SMILESCNC1CC2CC(=CC1C)CC(C)C2
InChIInChI=1S/C13H23N/c1-9-4-11-6-10(2)13(14-3)8-12(5-9)7-11/h6,9-10,12-14H,4-5,7-8H2,1-3H3
InChIKeyQWALTSITRBTUGJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds1

About N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine

N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine (PubChem CID 144522331) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine.

Molecular Properties

Compound NameN,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine
PubChem CID144522331
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine
SMILESCNC1CC2CC(=CC1C)CC(C)C2
InChIInChI=1S/C13H23N/c1-9-4-11-6-10(2)13(14-3)8-12(5-9)7-11/h6,9-10,12-14H,4-5,7-8H2,1-3H3
InChIKeyQWALTSITRBTUGJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylbicyclo[3.3.1]non-1-ene
CID 123750976
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
N,7-dimethylbicyclo[3.3.1]nonan-2-amine
CID 88999597
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751193
2-alumanyl-N,5-dimethyloxan-3-amine
CID 163592102
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
2-(4-tert-butylphenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
CID 64736765
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
1,3-dichloro-5-methylcyclohexene
CID 123341326
2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547426
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64620731

Frequently Asked Questions

What is the IUPAC name of N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine?
The IUPAC name of N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine (CID 144522331) is N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine.
What is the SMILES notation for N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine?
The canonical SMILES for N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine is CNC1CC2CC(=CC1C)CC(C)C2.
What is the InChIKey of N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine?
The InChIKey is QWALTSITRBTUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-4-11-6-10(2)13(14-3)8-12(5-9)7-11/h6,9-10,12-14H,4-5,7-8H2,1-3H3.
What are the key properties of N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine?
N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine is sourced from PubChem (CID 144522331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).