N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C19H32N2 — CID 65415133

IUPACN-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-6-20-18(16-8-7-14(2)21-13-16)15-9-11-17(12-10-15)19(3,4)5/h7-8,13,15,17-18,20H,6,9-12H2,1-5H3
InChIKeyBKKPPIITGYGFMR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.89
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 65415133) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID65415133
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-6-20-18(16-8-7-14(2)21-13-16)15-9-11-17(12-10-15)19(3,4)5/h7-8,13,15,17-18,20H,6,9-12H2,1-5H3
InChIKeyBKKPPIITGYGFMR-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
[(3-ethylcyclopentyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105233565
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63504568
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066
1-cycloheptyl-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 65400041

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 65415133) is N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is BKKPPIITGYGFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-20-18(16-8-7-14(2)21-13-16)15-9-11-17(12-10-15)19(3,4)5/h7-8,13,15,17-18,20H,6,9-12H2,1-5H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 65415133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).