N,N-bis(2-cyanoethyl)-2-methylbutanamide

C11H17N3O — CID 4627836

IUPACN,N-bis(2-cyanoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H17N3O/c1-3-10(2)11(15)14(8-4-6-12)9-5-7-13/h10H,3-5,8-9H2,1-2H3
InChIKeyQGGXGZMUIGAXIX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.69
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-2-methylbutanamide

N,N-bis(2-cyanoethyl)-2-methylbutanamide (PubChem CID 4627836) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-methylbutanamide
PubChem CID4627836
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN,N-bis(2-cyanoethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H17N3O/c1-3-10(2)11(15)14(8-4-6-12)9-5-7-13/h10H,3-5,8-9H2,1-2H3
InChIKeyQGGXGZMUIGAXIX-UHFFFAOYSA-N
XLogP1.69
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-methylpentanamide
CID 4628054
N-tert-butyl-N-(2-cyanoethyl)-2-methylbutanamide
CID 58434930
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-methylbutanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-methylbutanamide (CID 4627836) is N,N-bis(2-cyanoethyl)-2-methylbutanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-methylbutanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-methylbutanamide is CCC(C)C(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-methylbutanamide?
The InChIKey is QGGXGZMUIGAXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(2)11(15)14(8-4-6-12)9-5-7-13/h10H,3-5,8-9H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-methylbutanamide?
N,N-bis(2-cyanoethyl)-2-methylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-methylbutanamide is sourced from PubChem (CID 4627836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).