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

C16H27N3O2 — CID 3074951

IUPAC[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCCCN(C)Cc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C16H27N3O2/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3/h9-11H,5-8,12-13H2,1-4H3
InChIKeyAKKJBDBTLXYZHW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds8

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

[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (PubChem CID 3074951) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
PubChem CID3074951
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCCCCCCN(C)Cc1ncccc1OC(=O)N(C)C
InChIInChI=1S/C16H27N3O2/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3/h9-11H,5-8,12-13H2,1-4H3
InChIKeyAKKJBDBTLXYZHW-UHFFFAOYSA-N
XLogP3.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
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-[[9-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methylamino]nonyl-methylamino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;perchloric acid
CID 88659974
[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 70432937
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074957
N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
CID 114198997
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
CID 165360156
[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-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate
CID 67568014
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride
CID 17065341
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
2-[[3-hydroxypropyl(methyl)amino]methyl]pyridine-3-carbohydrazide
CID 114230990
[2-(dimethylamino)-3-pyridinyl] octanoate
CID 154635229

Frequently Asked Questions

What is the IUPAC name of [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (CID 3074951) is [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is CCCCCCN(C)Cc1ncccc1OC(=O)N(C)C.
What is the InChIKey of [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The InChIKey is AKKJBDBTLXYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate has a molecular weight of 293.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is sourced from PubChem (CID 3074951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).