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

C17H28N2 — CID 105154308

IUPACN-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccnc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C17H28N2/c1-5-18-17(16-7-6-8-19-14(16)4)15-10-12(2)9-13(3)11-15/h6-8,12-13,15,17-18H,5,9-11H2,1-4H3
InChIKeyXPHCHUWKDDDAOT-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.11
Rot. Bonds4

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

N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105154308) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105154308
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccnc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C17H28N2/c1-5-18-17(16-7-6-8-19-14(16)4)15-10-12(2)9-13(3)11-15/h6-8,12-13,15,17-18H,5,9-11H2,1-4H3
InChIKeyXPHCHUWKDDDAOT-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105157241
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104989036
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503952
N-ethyl-1-(2-methyl-3-pyridinyl)but-3-yn-1-amine
CID 105077584
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (CID 105154308) is N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cccnc1C)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is XPHCHUWKDDDAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18-17(16-7-6-8-19-14(16)4)15-10-12(2)9-13(3)11-15/h6-8,12-13,15,17-18H,5,9-11H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 260.42 g/mol, XLogP of 4.11, 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-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105154308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).