N,N'-bis[2-(dimethylamino)ethyl]butanediamide

C12H26N4O2 — CID 91693808

IUPACN,N'-bis[2-(dimethylamino)ethyl]butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCCN(C)C
InChIInChI=1S/C12H26N4O2/c1-15(2)9-7-13-11(17)5-6-12(18)14-8-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyFUEXORWJDCAAGP-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.88
Rot. Bonds9

About N,N'-bis[2-(dimethylamino)ethyl]butanediamide

N,N'-bis[2-(dimethylamino)ethyl]butanediamide (PubChem CID 91693808) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N'-bis[2-(dimethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(dimethylamino)ethyl]butanediamide
PubChem CID91693808
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN,N'-bis[2-(dimethylamino)ethyl]butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCCN(C)C
InChIInChI=1S/C12H26N4O2/c1-15(2)9-7-13-11(17)5-6-12(18)14-8-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyFUEXORWJDCAAGP-UHFFFAOYSA-N
XLogP-0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]butanediamide?
The IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]butanediamide (CID 91693808) is N,N'-bis[2-(dimethylamino)ethyl]butanediamide.
What is the SMILES notation for N,N'-bis[2-(dimethylamino)ethyl]butanediamide?
The canonical SMILES for N,N'-bis[2-(dimethylamino)ethyl]butanediamide is CN(C)CCNC(=O)CCC(=O)NCCN(C)C.
What is the InChIKey of N,N'-bis[2-(dimethylamino)ethyl]butanediamide?
The InChIKey is FUEXORWJDCAAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-15(2)9-7-13-11(17)5-6-12(18)14-8-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of N,N'-bis[2-(dimethylamino)ethyl]butanediamide?
N,N'-bis[2-(dimethylamino)ethyl]butanediamide has a molecular weight of 258.37 g/mol, XLogP of -0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(dimethylamino)ethyl]butanediamide is sourced from PubChem (CID 91693808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).