2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate

C17H27N3O2 — CID 140540614

IUPAC2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCC1CCC(c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-18-16(21)22-12-8-14-6-9-17(10-7-14,20(2)3)15-5-4-11-19-13-15/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,18,21)
InChIKeyQOUNSCNOQHBCNQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate

2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate (PubChem CID 140540614) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate
PubChem CID140540614
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCC1CCC(c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-18-16(21)22-12-8-14-6-9-17(10-7-14,20(2)3)15-5-4-11-19-13-15/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,18,21)
InChIKeyQOUNSCNOQHBCNQ-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89140707
CID 89140707
N-[2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N,N-dimethyl-4-[2-(methylamino)ethyl]-1-pyridin-3-ylcyclohexan-1-amine;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 159239717
methyl 2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl]acetate
CID 10425279
tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
CID 151516275
[(1R,2S)-6-(dimethylcarbamoyl)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] propanoate
CID 54105003
[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 4-(dimethylamino)-4-oxobutanoate
CID 22847522
trans-(1S,2R)-2-(2-aminoethyl)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10107563
tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
CID 121230488
trans-(1S,2R)-2-(2-hydroxyethyl)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10084971
[2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] butanoate
CID 19794564
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
2-(dimethylamino)-N-[(1-pyridin-3-ylcyclopropyl)methyl]acetamide
CID 110479717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate (CID 140540614) is 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate is CNC(=O)OCCC1CCC(c2cccnc2)(N(C)C)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate?
The InChIKey is QOUNSCNOQHBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-18-16(21)22-12-8-14-6-9-17(10-7-14,20(2)3)15-5-4-11-19-13-15/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate?
2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-pyridin-3-ylcyclohexyl]ethyl N-methylcarbamate is sourced from PubChem (CID 140540614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).