N',N'-diethyl-2-(methylamino)butanediamide

C9H19N3O2 — CID 12695982

IUPACN',N'-diethyl-2-(methylamino)butanediamide
SMILESCCN(CC)C(=O)CC(NC)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7(11-3)9(10)14/h7,11H,4-6H2,1-3H3,(H2,10,14)
InChIKeyCMARTITVXYWBNS-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds6

About N',N'-diethyl-2-(methylamino)butanediamide

N',N'-diethyl-2-(methylamino)butanediamide (PubChem CID 12695982) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N',N'-diethyl-2-(methylamino)butanediamide.

Molecular Properties

Compound NameN',N'-diethyl-2-(methylamino)butanediamide
PubChem CID12695982
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN',N'-diethyl-2-(methylamino)butanediamide
SMILESCCN(CC)C(=O)CC(NC)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7(11-3)9(10)14/h7,11H,4-6H2,1-3H3,(H2,10,14)
InChIKeyCMARTITVXYWBNS-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
CID 66430872
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
2,5-bis(methylamino)hexanediamide
CID 66221520
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
2-(methylamino)-4-oxobutanamide
CID 130181448
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
ethane;(E)-5-(ethylideneamino)-4-methyl-2-(methylamino)pent-4-enamide
CID 177241613
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
CID 118378502

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-(methylamino)butanediamide?
The IUPAC name of N',N'-diethyl-2-(methylamino)butanediamide (CID 12695982) is N',N'-diethyl-2-(methylamino)butanediamide.
What is the SMILES notation for N',N'-diethyl-2-(methylamino)butanediamide?
The canonical SMILES for N',N'-diethyl-2-(methylamino)butanediamide is CCN(CC)C(=O)CC(NC)C(N)=O.
What is the InChIKey of N',N'-diethyl-2-(methylamino)butanediamide?
The InChIKey is CMARTITVXYWBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(5-2)8(13)6-7(11-3)9(10)14/h7,11H,4-6H2,1-3H3,(H2,10,14).
What are the key properties of N',N'-diethyl-2-(methylamino)butanediamide?
N',N'-diethyl-2-(methylamino)butanediamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-(methylamino)butanediamide is sourced from PubChem (CID 12695982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).