N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide

C16H20N6O2 — CID 15084880

IUPACN,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
SMILESN#CCCN(CCC#N)C(=O)CCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H20N6O2/c17-7-1-11-21(12-2-8-18)15(23)5-6-16(24)22(13-3-9-19)14-4-10-20/h1-6,11-14H2
InChIKeyGNKDKVOBBXQBAI-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.08
Rot. Bonds11

About N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide

N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide (PubChem CID 15084880) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
PubChem CID15084880
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
SMILESN#CCCN(CCC#N)C(=O)CCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C16H20N6O2/c17-7-1-11-21(12-2-8-18)15(23)5-6-16(24)22(13-3-9-19)14-4-10-20/h1-6,11-14H2
InChIKeyGNKDKVOBBXQBAI-UHFFFAOYSA-N
XLogP1.08
TPSA135.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
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N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
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3-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466426
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide (CID 15084880) is N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide is N#CCCN(CCC#N)C(=O)CCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide?
The InChIKey is GNKDKVOBBXQBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c17-7-1-11-21(12-2-8-18)15(23)5-6-16(24)22(13-3-9-19)14-4-10-20/h1-6,11-14H2.
What are the key properties of N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide?
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide has a molecular weight of 328.38 g/mol, XLogP of 1.08, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide is sourced from PubChem (CID 15084880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).