N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine

C17H30N2 — CID 2846119

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CCC3CC2C3(C)C)CC1
InChIInChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3
InChIKeyRAHXEMCAPWJHLY-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.00
Rot. Bonds3

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 2846119) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID2846119
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CCC3CC2C3(C)C)CC1
InChIInChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3
InChIKeyRAHXEMCAPWJHLY-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 98476018
(3R)-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-3-amine
CID 142325880
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
CID 14634830
N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
CID 71450477
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
2-(isocyanatomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 105437148
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
(1R,5S)-2-(2-isocyanopropyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 123726795
1-[3-[4-[[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-methylamino]methyl]phenyl]phenyl]ethanone
CID 71450527
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-ethylethanamine
CID 42724121
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
CID 118072767
1-[[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-3-(2-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 7495441

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 2846119) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2=CCC3CC2C3(C)C)CC1.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is RAHXEMCAPWJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-17(2)14-6-5-13(16(17)11-14)12-19(4)15-7-9-18(3)10-8-15/h5,14-16H,6-12H2,1-4H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 2846119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).