N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C16H26N2O — CID 116763272

IUPACN-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(OC)CCCCC1
InChIInChI=1S/C16H26N2O/c1-4-18-15(14-10-13(2)11-17-12-14)16(19-3)8-6-5-7-9-16/h10-12,15,18H,4-9H2,1-3H3
InChIKeyBGUMZQHVJRNIBV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.39
Rot. Bonds5

About N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 116763272) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID116763272
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(OC)CCCCC1
InChIInChI=1S/C16H26N2O/c1-4-18-15(14-10-13(2)11-17-12-14)16(19-3)8-6-5-7-9-16/h10-12,15,18H,4-9H2,1-3H3
InChIKeyBGUMZQHVJRNIBV-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374920
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 116763272) is N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)C1(OC)CCCCC1.
What is the InChIKey of N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is BGUMZQHVJRNIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18-15(14-10-13(2)11-17-12-14)16(19-3)8-6-5-7-9-16/h10-12,15,18H,4-9H2,1-3H3.
What are the key properties of N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116763272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).