N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide

C14H23N3O — CID 129393796

IUPACN-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NCC(=O)NCC#N)C2
InChIInChI=1S/C14H23N3O/c1-13(2)10-4-5-14(13,3)11(8-10)17-9-12(18)16-7-6-15/h10-11,17H,4-5,7-9H2,1-3H3,(H,16,18)/t10-,11+,14-/m0/s1
InChIKeyMBLKPZBXNMKLJT-WDMOLILDSA-N
MW249.36 g/mol
LogP1.43
Rot. Bonds4

About N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide

N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide (PubChem CID 129393796) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
PubChem CID129393796
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NCC(=O)NCC#N)C2
InChIInChI=1S/C14H23N3O/c1-13(2)10-4-5-14(13,3)11(8-10)17-9-12(18)16-7-6-15/h10-11,17H,4-5,7-9H2,1-3H3,(H,16,18)/t10-,11+,14-/m0/s1
InChIKeyMBLKPZBXNMKLJT-WDMOLILDSA-N
XLogP1.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
CID 112683498
2-(cyanomethylsulfanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 47181974
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103894846
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
2-(methanesulfonamido)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 47389054
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide (CID 129393796) is N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCC(=O)NCC#N)C2.
What is the InChIKey of N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
The InChIKey is MBLKPZBXNMKLJT-WDMOLILDSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13(2)10-4-5-14(13,3)11(8-10)17-9-12(18)16-7-6-15/h10-11,17H,4-5,7-9H2,1-3H3,(H,16,18)/t10-,11+,14-/m0/s1.
What are the key properties of N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide?
N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide is sourced from PubChem (CID 129393796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).