2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide

C13H30N4O — CID 55226399

IUPAC2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
SMILESCN(C)CCCN(C)CCCCC(C)(N)C(N)=O
InChIInChI=1S/C13H30N4O/c1-13(15,12(14)18)8-5-6-10-17(4)11-7-9-16(2)3/h5-11,15H2,1-4H3,(H2,14,18)
InChIKeyWWVAOPVTLZSSKL-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.24
Rot. Bonds10

About 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide

2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide (PubChem CID 55226399) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide.

Molecular Properties

Compound Name2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
PubChem CID55226399
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
SMILESCN(C)CCCN(C)CCCCC(C)(N)C(N)=O
InChIInChI=1S/C13H30N4O/c1-13(15,12(14)18)8-5-6-10-17(4)11-7-9-16(2)3/h5-11,15H2,1-4H3,(H2,14,18)
InChIKeyWWVAOPVTLZSSKL-UHFFFAOYSA-N
XLogP0.24
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
CID 63699969
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
CID 63700322
2,5-diamino-2-methylpentanamide
CID 130907221
2-amino-2-methyltetradecanamide
CID 175155192
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
6-[3-(dimethylamino)propyl-methylamino]hexan-2-one
CID 63700931
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide?
The IUPAC name of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide (CID 55226399) is 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide.
What is the SMILES notation for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide?
The canonical SMILES for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide is CN(C)CCCN(C)CCCCC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide?
The InChIKey is WWVAOPVTLZSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-13(15,12(14)18)8-5-6-10-17(4)11-7-9-16(2)3/h5-11,15H2,1-4H3,(H2,14,18).
What are the key properties of 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide?
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide is sourced from PubChem (CID 55226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).