N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide

C14H22N2O — CID 54996543

IUPACN-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-10(2)16(7-3-6-15)14(17)13-9-11-4-5-12(13)8-11/h10-13H,3-5,7-9H2,1-2H3
InChIKeyYKNUHRRISCTYJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds4

About N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide

N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 54996543) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID54996543
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-10(2)16(7-3-6-15)14(17)13-9-11-4-5-12(13)8-11/h10-13H,3-5,7-9H2,1-2H3
InChIKeyYKNUHRRISCTYJJ-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
N-(2-cyanoethyl)-N-propan-2-ylthiane-2-carboxamide
CID 80593789
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
N-(2-cyanoethyl)-3-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81449650
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 54996543) is N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide is CC(C)N(CCC#N)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YKNUHRRISCTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16(7-3-6-15)14(17)13-9-11-4-5-12(13)8-11/h10-13H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 54996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).