3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine

C26H42N2 — CID 137435976

IUPAC3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine
SMILESCC1CC(C)(CN2CCC(N)C(C)(C)C2)CC2(c3ccccc3)CC(C)(C1)C2
InChIInChI=1S/C26H42N2/c1-20-13-24(4)15-26(16-24,21-9-7-6-8-10-21)17-25(5,14-20)19-28-12-11-22(27)23(2,3)18-28/h6-10,20,22H,11-19,27H2,1-5H3
InChIKeyVOYIDUODKGDWAF-UHFFFAOYSA-N
MW382.64 g/mol
LogP5.61
Rot. Bonds3

About 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine (PubChem CID 137435976) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine
PubChem CID137435976
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine
SMILESCC1CC(C)(CN2CCC(N)C(C)(C)C2)CC2(c3ccccc3)CC(C)(C1)C2
InChIInChI=1S/C26H42N2/c1-20-13-24(4)15-26(16-24,21-9-7-6-8-10-21)17-25(5,14-20)19-28-12-11-22(27)23(2,3)18-28/h6-10,20,22H,11-19,27H2,1-5H3
InChIKeyVOYIDUODKGDWAF-UHFFFAOYSA-N
XLogP5.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine with MolForge

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Related Compounds

1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
CID 137436018
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-1-adamantyl)methanone
CID 162526040
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
1-methyl-3,5,7-triphenyladamantane
CID 20728636
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[7-(chloromethyl)-3-methyl-5-phenyl-2-bicyclo[3.3.1]nonanyl]methanethione
CID 166985081
3,6,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothialdehyde;1,3,3-trimethylpiperidin-4-amine
CID 162525292
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(2-benzyl-7-phenyl-2-azatricyclo[3.3.1.13,7]decan-5-yl)methanone
CID 162525834
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(cyclopropylmethyl)-3-phenyl-1-adamantyl]methanethione
CID 162525288
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(2-methyliminoethylidene)-3-phenyl-1-adamantyl]methanone
CID 175635779
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-methyl-3-phenyl-6-propyl-1-adamantyl)methanethione
CID 171762435

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine (CID 137435976) is 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine is CC1CC(C)(CN2CCC(N)C(C)(C)C2)CC2(c3ccccc3)CC(C)(C1)C2.
What is the InChIKey of 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine?
The InChIKey is VOYIDUODKGDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2/c1-20-13-24(4)15-26(16-24,21-9-7-6-8-10-21)17-25(5,14-20)19-28-12-11-22(27)23(2,3)18-28/h6-10,20,22H,11-19,27H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine has a molecular weight of 382.64 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3,5,7-trimethyl-1-phenyl-3-bicyclo[5.1.1]nonanyl)methyl]piperidin-4-amine is sourced from PubChem (CID 137435976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).