3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C17H30N2 — CID 114460305

IUPAC3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)C1=CCN(CC2C3CCC(C3)C2N)CC1
InChIInChI=1S/C17H30N2/c1-17(2,3)14-6-8-19(9-7-14)11-15-12-4-5-13(10-12)16(15)18/h6,12-13,15-16H,4-5,7-11,18H2,1-3H3
InChIKeyLMEPHIWZHXYOLR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.04
Rot. Bonds2

About 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine

3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 114460305) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID114460305
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)C1=CCN(CC2C3CCC(C3)C2N)CC1
InChIInChI=1S/C17H30N2/c1-17(2,3)14-6-8-19(9-7-14)11-15-12-4-5-13(10-12)16(15)18/h6,12-13,15-16H,4-5,7-11,18H2,1-3H3
InChIKeyLMEPHIWZHXYOLR-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine
CID 16076364
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 114490152
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-7,7-dimethyl-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 166770390
(4R,7S)-7-tert-butyl-N-[2-[(2S,8R)-8-methyl-2-bicyclo[2.2.2]oct-1(6)-enyl]propan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 166853801
N-ethyl-1,7,7-trimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 167057629
N-(cyclohex-3-en-1-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43223153
N-[2-(cyclohexen-1-yl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60664463
N-[2-bicyclo[2.2.1]heptanyl(cyclohexen-1-yl)methyl]ethanamine
CID 63504498
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 63504503
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 63504995
N-[2-bicyclo[2.2.1]heptanyl(cyclohexen-1-yl)methyl]propan-1-amine
CID 63506623
3-[[Ethyl(2-methylprop-2-enyl)amino]methyl]bicyclo[2.2.1]heptan-2-amine
CID 64378079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 114460305) is 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CC(C)(C)C1=CCN(CC2C3CCC(C3)C2N)CC1.
What is the InChIKey of 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LMEPHIWZHXYOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-17(2,3)14-6-8-19(9-7-14)11-15-12-4-5-13(10-12)16(15)18/h6,12-13,15-16H,4-5,7-11,18H2,1-3H3.
What are the key properties of 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 114460305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).