6-amino-2-ethylhexanoic acid;azane

C8H20N2O2 — CID 88821488

IUPAC6-amino-2-ethylhexanoic acid;azane
SMILESCCC(CCCCN)C(=O)O.N
InChIInChI=1S/C8H17NO2.H3N/c1-2-7(8(10)11)5-3-4-6-9;/h7H,2-6,9H2,1H3,(H,10,11);1H3
InChIKeySEQPQBQXJJBXDO-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.39
Rot. Bonds6

About 6-amino-2-ethylhexanoic acid;azane

6-amino-2-ethylhexanoic acid;azane (PubChem CID 88821488) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-amino-2-ethylhexanoic acid;azane.

Molecular Properties

Compound Name6-amino-2-ethylhexanoic acid;azane
PubChem CID88821488
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name6-amino-2-ethylhexanoic acid;azane
SMILESCCC(CCCCN)C(=O)O.N
InChIInChI=1S/C8H17NO2.H3N/c1-2-7(8(10)11)5-3-4-6-9;/h7H,2-6,9H2,1H3,(H,10,11);1H3
InChIKeySEQPQBQXJJBXDO-UHFFFAOYSA-N
XLogP1.39
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
6-amino-2-(2-hydroxyethyl)hexanoic acid
CID 104681384
2-(4-aminobutyl)-4-hydroxy-4-methylhexanoic acid
CID 114497718
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
CID 71737799

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethylhexanoic acid;azane?
The IUPAC name of 6-amino-2-ethylhexanoic acid;azane (CID 88821488) is 6-amino-2-ethylhexanoic acid;azane.
What is the SMILES notation for 6-amino-2-ethylhexanoic acid;azane?
The canonical SMILES for 6-amino-2-ethylhexanoic acid;azane is CCC(CCCCN)C(=O)O.N.
What is the InChIKey of 6-amino-2-ethylhexanoic acid;azane?
The InChIKey is SEQPQBQXJJBXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.H3N/c1-2-7(8(10)11)5-3-4-6-9;/h7H,2-6,9H2,1H3,(H,10,11);1H3.
What are the key properties of 6-amino-2-ethylhexanoic acid;azane?
6-amino-2-ethylhexanoic acid;azane has a molecular weight of 176.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethylhexanoic acid;azane is sourced from PubChem (CID 88821488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).