N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide

C14H26N2O — CID 63224542

IUPACN-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)C(C)CC#N)CC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-11(10-14(3,4)5)9-13(17)16(6)12(2)7-8-15/h11-12H,7,9-10H2,1-6H3
InChIKeyNVFWVJFYPZUKGO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.21
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide

N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide (PubChem CID 63224542) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
PubChem CID63224542
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)C(C)CC#N)CC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-11(10-14(3,4)5)9-13(17)16(6)12(2)7-8-15/h11-12H,7,9-10H2,1-6H3
InChIKeyNVFWVJFYPZUKGO-UHFFFAOYSA-N
XLogP3.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-Methyl-2-oxoazepan-1-yl)propanenitrile
CID 24789350
3-(5-Tert-butyl-2-oxoazepan-1-yl)propanenitrile
CID 24793506
(3S)-4-[(5R)-5-tert-butyl-2-oxoazepan-1-yl]-3-methylbutanenitrile
CID 24793507
(3S)-3-methyl-4-[(5R)-5-methyl-2-oxoazepan-1-yl]butanenitrile
CID 24789367
N-(1-cyanopropan-2-yl)-N-methyl-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 60250770
1-[3-(Dimethylamino)-4-ethylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 71927880
N-[(2S)-2-cyanopropyl]-N-ethylcyclopentanecarboxamide
CID 93842957
N-tert-butyl-3,3-dicyano-6,6,6-trifluoro-N-methylhexanamide
CID 16065649
N,N-diethyl-3,5,5-trimethylhexanamide
CID 88772033
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N,N-Bis(2-cyanoethyl)-2-propylvaleramide
CID 3032169
1-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 55037630

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide (CID 63224542) is N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide is CC(CC(=O)N(C)C(C)CC#N)CC(C)(C)C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide?
The InChIKey is NVFWVJFYPZUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(10-14(3,4)5)9-13(17)16(6)12(2)7-8-15/h11-12H,7,9-10H2,1-6H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide?
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide has a molecular weight of 238.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 63224542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).