[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate

C19H33N3O2 — CID 70432937

IUPAC[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCCCCC(C)N(C)Cc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C19H33N3O2/c1-6-7-8-9-10-12-16(2)22(5)15-17-18(13-11-14-20-17)24-19(23)21(3)4/h11,13-14,16H,6-10,12,15H2,1-5H3
InChIKeyHFSXYAUHVAVUAP-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.32
Rot. Bonds10

About [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate

[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (PubChem CID 70432937) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
PubChem CID70432937
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCCCCC(C)N(C)Cc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C19H33N3O2/c1-6-7-8-9-10-12-16(2)22(5)15-17-18(13-11-14-20-17)24-19(23)21(3)4/h11,13-14,16H,6-10,12,15H2,1-5H3
InChIKeyHFSXYAUHVAVUAP-UHFFFAOYSA-N
XLogP4.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[[1,8-dinitrooxyoctan-2-yl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;[2-[[methyl(octan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 88659983
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
[2-[[9-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methylamino]nonyl-methylamino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;perchloric acid
CID 88659974
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074957
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride
CID 17065341
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
CID 165360156
[2-(dimethylamino)-3-pyridinyl] octanoate
CID 154635229
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
N-benzyl-N-methylheptan-2-amine
CID 101048002
[1-[10-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]decyl]isoquinolin-5-yl] N,N-dimethylcarbamate;sulfuric acid
CID 173406299
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
3-methoxy-2-octylpyridine
CID 102048148

Frequently Asked Questions

What is the IUPAC name of [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (CID 70432937) is [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is CCCCCCCC(C)N(C)Cc1ncccc1OC(=O)N(C)C.
What is the InChIKey of [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The InChIKey is HFSXYAUHVAVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-7-8-9-10-12-16(2)22(5)15-17-18(13-11-14-20-17)24-19(23)21(3)4/h11,13-14,16H,6-10,12,15H2,1-5H3.
What are the key properties of [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate has a molecular weight of 335.49 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is sourced from PubChem (CID 70432937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).