4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide

C11H18N4O — CID 81087572

IUPAC4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H18N4O/c1-10(9-14)8-11(16)15(6-2-4-12)7-3-5-13/h10H,2-3,6-9,14H2,1H3
InChIKeyLWGABFSLJZVCKB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.63
Rot. Bonds7

About 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide

4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide (PubChem CID 81087572) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
PubChem CID81087572
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H18N4O/c1-10(9-14)8-11(16)15(6-2-4-12)7-3-5-13/h10H,2-3,6-9,14H2,1H3
InChIKeyLWGABFSLJZVCKB-UHFFFAOYSA-N
XLogP0.63
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
CID 81071767
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
3-amino-N,N-bis(2-cyanoethyl)propanamide
CID 60953472
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 81070887
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
CID 107471659
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide (CID 81087572) is 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide is CC(CN)CC(=O)N(CCC#N)CCC#N.
What is the InChIKey of 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide?
The InChIKey is LWGABFSLJZVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10(9-14)8-11(16)15(6-2-4-12)7-3-5-13/h10H,2-3,6-9,14H2,1H3.
What are the key properties of 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide?
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide is sourced from PubChem (CID 81087572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).