N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine

C18H30N2 — CID 107503952

IUPACN-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H30N2/c1-6-19-18(16-8-12(2)7-13(3)9-16)17-10-14(4)20-15(5)11-17/h10-13,16,18-19H,6-9H2,1-5H3
InChIKeySKFUFYJZTISEEW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.42
Rot. Bonds4

About N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine (PubChem CID 107503952) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
PubChem CID107503952
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H30N2/c1-6-19-18(16-8-12(2)7-13(3)9-16)17-10-14(4)20-15(5)11-17/h10-13,16,18-19H,6-9H2,1-5H3
InChIKeySKFUFYJZTISEEW-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107503959
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[(4-bromo-3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104988660
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine (CID 107503952) is N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine is CCNC(c1cc(C)nc(C)c1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is SKFUFYJZTISEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-19-18(16-8-12(2)7-13(3)9-16)17-10-14(4)20-15(5)11-17/h10-13,16,18-19H,6-9H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107503952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).