N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine

C16H26N2O2 — CID 103172520

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCOc1ccnc(CNC2CCC(C)C(C)C2)c1OC
InChIInChI=1S/C16H26N2O2/c1-11-5-6-13(9-12(11)2)18-10-14-16(20-4)15(19-3)7-8-17-14/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyCPJFTTVMLLOCQP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.01
Rot. Bonds5

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 103172520) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID103172520
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCOc1ccnc(CNC2CCC(C)C(C)C2)c1OC
InChIInChI=1S/C16H26N2O2/c1-11-5-6-13(9-12(11)2)18-10-14-16(20-4)15(19-3)7-8-17-14/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyCPJFTTVMLLOCQP-UHFFFAOYSA-N
XLogP3.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 103173679
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
CID 103172752
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103173977
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 103172390
3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106833983

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 103172520) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine is COc1ccnc(CNC2CCC(C)C(C)C2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is CPJFTTVMLLOCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-5-6-13(9-12(11)2)18-10-14-16(20-4)15(19-3)7-8-17-14/h7-8,11-13,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103172520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).