2,5-bis(methylamino)hexanediamide

C8H18N4O2 — CID 66221520

IUPAC2,5-bis(methylamino)hexanediamide
SMILESCNC(CCC(NC)C(N)=O)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-11-5(7(9)13)3-4-6(12-2)8(10)14/h5-6,11-12H,3-4H2,1-2H3,(H2,9,13)(H2,10,14)
InChIKeyPIUKKFKJTVEXOB-UHFFFAOYSA-N
MW202.26 g/mol
LogP-2.09
Rot. Bonds7

About 2,5-bis(methylamino)hexanediamide

2,5-bis(methylamino)hexanediamide (PubChem CID 66221520) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,5-bis(methylamino)hexanediamide.

Molecular Properties

Compound Name2,5-bis(methylamino)hexanediamide
PubChem CID66221520
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2,5-bis(methylamino)hexanediamide
SMILESCNC(CCC(NC)C(N)=O)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-11-5(7(9)13)3-4-6(12-2)8(10)14/h5-6,11-12H,3-4H2,1-2H3,(H2,9,13)(H2,10,14)
InChIKeyPIUKKFKJTVEXOB-UHFFFAOYSA-N
XLogP-2.09
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
2-(methylamino)-4-(2-methylpropoxy)butanamide
CID 63039671
2-(methylamino)-4-oxobutanamide
CID 130181448
4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
7-amino-2-methyl-2,6-bis(methylamino)-7-oxoheptanoic acid
CID 66223013

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(methylamino)hexanediamide?
The IUPAC name of 2,5-bis(methylamino)hexanediamide (CID 66221520) is 2,5-bis(methylamino)hexanediamide.
What is the SMILES notation for 2,5-bis(methylamino)hexanediamide?
The canonical SMILES for 2,5-bis(methylamino)hexanediamide is CNC(CCC(NC)C(N)=O)C(N)=O.
What is the InChIKey of 2,5-bis(methylamino)hexanediamide?
The InChIKey is PIUKKFKJTVEXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-11-5(7(9)13)3-4-6(12-2)8(10)14/h5-6,11-12H,3-4H2,1-2H3,(H2,9,13)(H2,10,14).
What are the key properties of 2,5-bis(methylamino)hexanediamide?
2,5-bis(methylamino)hexanediamide has a molecular weight of 202.26 g/mol, XLogP of -2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methylamino)hexanediamide is sourced from PubChem (CID 66221520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).