N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile

C20H36N4O2 — CID 143079876

IUPACN-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
SMILESC#N.CNC(=O)C(C)(C)CCCCCCCCCC(C)(C)C(=O)NC#N
InChIInChI=1S/C19H35N3O2.CHN/c1-18(2,16(23)21-5)13-11-9-7-6-8-10-12-14-19(3,4)17(24)22-15-20;1-2/h6-14H2,1-5H3,(H,21,23)(H,22,24);1H
InChIKeyINWCBVPYRCVARS-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.03
Rot. Bonds12

About N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile

N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile (PubChem CID 143079876) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile.

Molecular Properties

Compound NameN-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
PubChem CID143079876
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
SMILESC#N.CNC(=O)C(C)(C)CCCCCCCCCC(C)(C)C(=O)NC#N
InChIInChI=1S/C19H35N3O2.CHN/c1-18(2,16(23)21-5)13-11-9-7-6-8-10-12-14-19(3,4)17(24)22-15-20;1-2/h6-14H2,1-5H3,(H,21,23)(H,22,24);1H
InChIKeyINWCBVPYRCVARS-UHFFFAOYSA-N
XLogP4.03
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide
CID 59660127
N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide
CID 21303578
N,2,2-trimethyloctadecanamide
CID 158817445
N-cyano-4-[2-[4-(cyanoamino)-3,3-dimethyl-4-oxobutyl]sulfanylethylsulfanyl]-2,2-dimethylbutanamide
CID 20633624
N,2,2-trimethylhexanamide
CID 87705334
N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
CID 159659971
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-diethyl-N-methylhexadecanamide
CID 158971138

Frequently Asked Questions

What is the IUPAC name of N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile?
The IUPAC name of N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile (CID 143079876) is N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile.
What is the SMILES notation for N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile?
The canonical SMILES for N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile is C#N.CNC(=O)C(C)(C)CCCCCCCCCC(C)(C)C(=O)NC#N.
What is the InChIKey of N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile?
The InChIKey is INWCBVPYRCVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.CHN/c1-18(2,16(23)21-5)13-11-9-7-6-8-10-12-14-19(3,4)17(24)22-15-20;1-2/h6-14H2,1-5H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile?
N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile has a molecular weight of 364.53 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile is sourced from PubChem (CID 143079876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).