6-aminohexanoic acid;ethane;molecular hydrogen

C8H21NO2 — CID 143775887

IUPAC6-aminohexanoic acid;ethane;molecular hydrogen
SMILESCC.NCCCCCC(=O)O.[H][H]
InChIInChI=1S/C6H13NO2.C2H6.H2/c7-5-3-1-2-4-6(8)9;1-2;/h1-5,7H2,(H,8,9);1-2H3;1H
InChIKeyNACUAGHONMBOTJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.86
Rot. Bonds5

About 6-aminohexanoic acid;ethane;molecular hydrogen

6-aminohexanoic acid;ethane;molecular hydrogen (PubChem CID 143775887) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 6-aminohexanoic acid;ethane;molecular hydrogen.

Molecular Properties

Compound Name6-aminohexanoic acid;ethane;molecular hydrogen
PubChem CID143775887
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name6-aminohexanoic acid;ethane;molecular hydrogen
SMILESCC.NCCCCCC(=O)O.[H][H]
InChIInChI=1S/C6H13NO2.C2H6.H2/c7-5-3-1-2-4-6(8)9;1-2;/h1-5,7H2,(H,8,9);1-2H3;1H
InChIKeyNACUAGHONMBOTJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-aminohexanoic acid;zinc
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12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
pentan-1-amine;tetradecanoic acid
CID 174809000
hexadecanoic acid;pentan-1-amine
CID 161401164
icosan-1-amine;octadecanoic acid
CID 174740583

Frequently Asked Questions

What is the IUPAC name of 6-aminohexanoic acid;ethane;molecular hydrogen?
The IUPAC name of 6-aminohexanoic acid;ethane;molecular hydrogen (CID 143775887) is 6-aminohexanoic acid;ethane;molecular hydrogen.
What is the SMILES notation for 6-aminohexanoic acid;ethane;molecular hydrogen?
The canonical SMILES for 6-aminohexanoic acid;ethane;molecular hydrogen is CC.NCCCCCC(=O)O.[H][H].
What is the InChIKey of 6-aminohexanoic acid;ethane;molecular hydrogen?
The InChIKey is NACUAGHONMBOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6.H2/c7-5-3-1-2-4-6(8)9;1-2;/h1-5,7H2,(H,8,9);1-2H3;1H.
What are the key properties of 6-aminohexanoic acid;ethane;molecular hydrogen?
6-aminohexanoic acid;ethane;molecular hydrogen has a molecular weight of 163.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid;ethane;molecular hydrogen is sourced from PubChem (CID 143775887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).