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

C16H25N3O2 — CID 3074957

IUPAC[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccnc1CN(C)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyLYHXVAKLEPGMNM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.91
Rot. Bonds4

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

[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (PubChem CID 3074957) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
PubChem CID3074957
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccnc1CN(C)C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyLYHXVAKLEPGMNM-UHFFFAOYSA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 70432937
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
CID 165360156
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride
CID 17065341
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
2-[methyl(quinolin-8-yloxycarbonyl)amino]acetic acid
CID 116819580
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate (CID 3074957) is [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccnc1CN(C)C1CCCCC1.
What is the InChIKey of [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
The InChIKey is LYHXVAKLEPGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3.
What are the key properties of [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate?
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate has a molecular weight of 291.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate is sourced from PubChem (CID 3074957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).