2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide

C11H23N3O2 — CID 103832738

IUPAC2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C11H23N3O2/c1-4-5-6-9(12)11(16)14(3)8-7-10(15)13-2/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKIRAEFRDAPMFJB-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds7

About 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide

2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide (PubChem CID 103832738) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
PubChem CID103832738
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C11H23N3O2/c1-4-5-6-9(12)11(16)14(3)8-7-10(15)13-2/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyKIRAEFRDAPMFJB-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
CID 106915272
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide?
The IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide (CID 103832738) is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide?
The canonical SMILES for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide is CCCCC(N)C(=O)N(C)CCC(=O)NC.
What is the InChIKey of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide?
The InChIKey is KIRAEFRDAPMFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-5-6-9(12)11(16)14(3)8-7-10(15)13-2/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide?
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide is sourced from PubChem (CID 103832738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).