2-amino-6-(dimethylamino)hexanoic acid;ethane

C10H24N2O2 — CID 177245948

IUPAC2-amino-6-(dimethylamino)hexanoic acid;ethane
SMILESCC.CN(C)CCCCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2.C2H6/c1-10(2)6-4-3-5-7(9)8(11)12;1-2/h7H,3-6,9H2,1-2H3,(H,11,12);1-2H3
InChIKeyGLFNDPIAIHVKNV-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-6-(dimethylamino)hexanoic acid;ethane

2-amino-6-(dimethylamino)hexanoic acid;ethane (PubChem CID 177245948) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-amino-6-(dimethylamino)hexanoic acid;ethane.

Molecular Properties

Compound Name2-amino-6-(dimethylamino)hexanoic acid;ethane
PubChem CID177245948
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name2-amino-6-(dimethylamino)hexanoic acid;ethane
SMILESCC.CN(C)CCCCC(N)C(=O)O
InChIInChI=1S/C8H18N2O2.C2H6/c1-10(2)6-4-3-5-7(9)8(11)12;1-2/h7H,3-6,9H2,1-2H3,(H,11,12);1-2H3
InChIKeyGLFNDPIAIHVKNV-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-6-(diethylamino)hexanoic acid
CID 53320301
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
CID 137348989
2-amino-6-[butanoyl(methyl)amino]hexanoic acid
CID 167006066
2,6-diaminoheptanedioic acid
CID 865
2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
CID 87358436
2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoic acid
CID 154597375
2-aminotetracosanoic acid
CID 88730229
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2S)-2-aminopentacosanoic acid
CID 158815459

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(dimethylamino)hexanoic acid;ethane?
The IUPAC name of 2-amino-6-(dimethylamino)hexanoic acid;ethane (CID 177245948) is 2-amino-6-(dimethylamino)hexanoic acid;ethane.
What is the SMILES notation for 2-amino-6-(dimethylamino)hexanoic acid;ethane?
The canonical SMILES for 2-amino-6-(dimethylamino)hexanoic acid;ethane is CC.CN(C)CCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(dimethylamino)hexanoic acid;ethane?
The InChIKey is GLFNDPIAIHVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C2H6/c1-10(2)6-4-3-5-7(9)8(11)12;1-2/h7H,3-6,9H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of 2-amino-6-(dimethylamino)hexanoic acid;ethane?
2-amino-6-(dimethylamino)hexanoic acid;ethane has a molecular weight of 204.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(dimethylamino)hexanoic acid;ethane is sourced from PubChem (CID 177245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).