N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

C17H28N2O — CID 62597639

IUPACN-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCCNCc2cccnc2)CC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-14-9-16(11-17(2,3)10-14)20-8-7-19-13-15-5-4-6-18-12-15/h4-6,12,14,16,19H,7-11,13H2,1-3H3
InChIKeyVEEDKIIOCCCSEB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (PubChem CID 62597639) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
PubChem CID62597639
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCCNCc2cccnc2)CC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-14-9-16(11-17(2,3)10-14)20-8-7-19-13-15-5-4-6-18-12-15/h4-6,12,14,16,19H,7-11,13H2,1-3H3
InChIKeyVEEDKIIOCCCSEB-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
[(1R,5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate;hydrate
CID 67947071
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349666
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (CID 62597639) is N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is CC1CC(OCCNCc2cccnc2)CC(C)(C)C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The InChIKey is VEEDKIIOCCCSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-9-16(11-17(2,3)10-14)20-8-7-19-13-15-5-4-6-18-12-15/h4-6,12,14,16,19H,7-11,13H2,1-3H3.
What are the key properties of N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 62597639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).