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

C19H36N2 — CID 102628028

IUPAC4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=C(C(C)(C)C)CC2)C1(C)C
InChIInChI=1S/C19H36N2/c1-14-17(20)8-7-16(19(14,5)6)13-21-11-9-15(10-12-21)18(2,3)4/h9,14,16-17H,7-8,10-13,20H2,1-6H3
InChIKeyUMSBKRGZIRYRNE-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds2

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

4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628028) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628028
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CC=C(C(C)(C)C)CC2)C1(C)C
InChIInChI=1S/C19H36N2/c1-14-17(20)8-7-16(19(14,5)6)13-21-11-9-15(10-12-21)18(2,3)4/h9,14,16-17H,7-8,10-13,20H2,1-6H3
InChIKeyUMSBKRGZIRYRNE-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

Halichonine B
CID 56834630
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2R,3R,5S)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine
CID 16076557
2,3,3-trimethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 102628029
4-[[4-[[(4R)-4-isopropenylcyclohexen-1-yl]methylamino]-2-methyl-cyclohexyl]methyl]-3-methyl-cyclohexanamine
CID 6480538
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methyl-cyclohexyl]methyl]-2-methyl-cyclohexanamine
CID 6480559
3-methyl-4-[[2-methyl-4-[[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6483670
(6S,8aS)-2-dodecyl-N,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11025220
(6S,8aS)-2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11132211
(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867708
(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867714
2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 23366883
N-[1-(6-tert-butyl-3-methylcyclohexen-1-yl)pentan-3-yl]cyclohexanamine
CID 91120095

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102628028) is 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN2CC=C(C(C)(C)C)CC2)C1(C)C.
What is the InChIKey of 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is UMSBKRGZIRYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14-17(20)8-7-16(19(14,5)6)13-21-11-9-15(10-12-21)18(2,3)4/h9,14,16-17H,7-8,10-13,20H2,1-6H3.
What are the key properties of 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).