2,2-bis[3-(dimethylamino)propyl]butanediamide

C14H30N4O2 — CID 175305389

IUPAC2,2-bis[3-(dimethylamino)propyl]butanediamide
SMILESCN(C)CCCC(CCCN(C)C)(CC(N)=O)C(N)=O
InChIInChI=1S/C14H30N4O2/c1-17(2)9-5-7-14(13(16)20,11-12(15)19)8-6-10-18(3)4/h5-11H2,1-4H3,(H2,15,19)(H2,16,20)
InChIKeyPWYINZREKUSVMP-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.02
Rot. Bonds11

About 2,2-bis[3-(dimethylamino)propyl]butanediamide

2,2-bis[3-(dimethylamino)propyl]butanediamide (PubChem CID 175305389) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,2-bis[3-(dimethylamino)propyl]butanediamide.

Molecular Properties

Compound Name2,2-bis[3-(dimethylamino)propyl]butanediamide
PubChem CID175305389
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2,2-bis[3-(dimethylamino)propyl]butanediamide
SMILESCN(C)CCCC(CCCN(C)C)(CC(N)=O)C(N)=O
InChIInChI=1S/C14H30N4O2/c1-17(2)9-5-7-14(13(16)20,11-12(15)19)8-6-10-18(3)4/h5-11H2,1-4H3,(H2,15,19)(H2,16,20)
InChIKeyPWYINZREKUSVMP-UHFFFAOYSA-N
XLogP0.02
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[3-(dimethylamino)propyl]butanediamide?
The IUPAC name of 2,2-bis[3-(dimethylamino)propyl]butanediamide (CID 175305389) is 2,2-bis[3-(dimethylamino)propyl]butanediamide.
What is the SMILES notation for 2,2-bis[3-(dimethylamino)propyl]butanediamide?
The canonical SMILES for 2,2-bis[3-(dimethylamino)propyl]butanediamide is CN(C)CCCC(CCCN(C)C)(CC(N)=O)C(N)=O.
What is the InChIKey of 2,2-bis[3-(dimethylamino)propyl]butanediamide?
The InChIKey is PWYINZREKUSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-17(2)9-5-7-14(13(16)20,11-12(15)19)8-6-10-18(3)4/h5-11H2,1-4H3,(H2,15,19)(H2,16,20).
What are the key properties of 2,2-bis[3-(dimethylamino)propyl]butanediamide?
2,2-bis[3-(dimethylamino)propyl]butanediamide has a molecular weight of 286.42 g/mol, XLogP of 0.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[3-(dimethylamino)propyl]butanediamide is sourced from PubChem (CID 175305389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).