2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine

C14H23N3O — CID 169307488

IUPAC2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccc(OC)cn1
InChIInChI=1S/C14H23N3O/c1-15-13-5-3-4-6-14(13)17-9-11-7-8-12(18-2)10-16-11/h7-8,10,13-15,17H,3-6,9H2,1-2H3
InChIKeyPWAZPIUMMOEJAM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds5

About 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine

2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine (PubChem CID 169307488) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine
PubChem CID169307488
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCc1ccc(OC)cn1
InChIInChI=1S/C14H23N3O/c1-15-13-5-3-4-6-14(13)17-9-11-7-8-12(18-2)10-16-11/h7-8,10,13-15,17H,3-6,9H2,1-2H3
InChIKeyPWAZPIUMMOEJAM-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 170325251
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
trans-(1R,2R)-1-N-methyl-2-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 175633952

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine (CID 169307488) is 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine is CNC1CCCCC1NCc1ccc(OC)cn1.
What is the InChIKey of 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
The InChIKey is PWAZPIUMMOEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-13-5-3-4-6-14(13)17-9-11-7-8-12(18-2)10-16-11/h7-8,10,13-15,17H,3-6,9H2,1-2H3.
What are the key properties of 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine?
2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methoxy-2-pyridinyl)methyl]-1-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 169307488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).