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

C12H19N3O — CID 4628054

IUPACN,N-bis(2-cyanoethyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H19N3O/c1-3-6-11(2)12(16)15(9-4-7-13)10-5-8-14/h11H,3-6,9-10H2,1-2H3
InChIKeyKCGTUOVBUJNOES-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds7

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

N,N-bis(2-cyanoethyl)-2-methylpentanamide (PubChem CID 4628054) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-methylpentanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-methylpentanamide
PubChem CID4628054
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN,N-bis(2-cyanoethyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H19N3O/c1-3-6-11(2)12(16)15(9-4-7-13)10-5-8-14/h11H,3-6,9-10H2,1-2H3
InChIKeyKCGTUOVBUJNOES-UHFFFAOYSA-N
XLogP2.08
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 54988162
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-methylpentanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-methylpentanamide (CID 4628054) is N,N-bis(2-cyanoethyl)-2-methylpentanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-methylpentanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-methylpentanamide is CCCC(C)C(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-methylpentanamide?
The InChIKey is KCGTUOVBUJNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-11(2)12(16)15(9-4-7-13)10-5-8-14/h11H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-methylpentanamide?
N,N-bis(2-cyanoethyl)-2-methylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 2.08, 7 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-methylpentanamide is sourced from PubChem (CID 4628054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).