2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane

C14H33N3O — CID 145098221

IUPAC2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
SMILESCC.CCCN(C)C(=O)C(N)CCCCN(C)C
InChIInChI=1S/C12H27N3O.C2H6/c1-5-9-15(4)12(16)11(13)8-6-7-10-14(2)3;1-2/h11H,5-10,13H2,1-4H3;1-2H3
InChIKeyKIOOHOOGLBRTPD-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.94
Rot. Bonds8

About 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane

2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane (PubChem CID 145098221) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane.

Molecular Properties

Compound Name2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
PubChem CID145098221
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
SMILESCC.CCCN(C)C(=O)C(N)CCCCN(C)C
InChIInChI=1S/C12H27N3O.C2H6/c1-5-9-15(4)12(16)11(13)8-6-7-10-14(2)3;1-2/h11H,5-10,13H2,1-4H3;1-2H3
InChIKeyKIOOHOOGLBRTPD-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane?
The IUPAC name of 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane (CID 145098221) is 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane.
What is the SMILES notation for 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane?
The canonical SMILES for 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane is CC.CCCN(C)C(=O)C(N)CCCCN(C)C.
What is the InChIKey of 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane?
The InChIKey is KIOOHOOGLBRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.C2H6/c1-5-9-15(4)12(16)11(13)8-6-7-10-14(2)3;1-2/h11H,5-10,13H2,1-4H3;1-2H3.
What are the key properties of 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane?
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane has a molecular weight of 259.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane is sourced from PubChem (CID 145098221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).