6-aminohexanoic acid;tert-butyl formate;methanamine

C12H28N2O4 — CID 145067135

IUPAC6-aminohexanoic acid;tert-butyl formate;methanamine
SMILESCC(C)(C)OC=O.CN.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C5H10O2.CH5N/c7-5-3-1-2-4-6(8)9;1-5(2,3)7-4-6;1-2/h1-5,7H2,(H,8,9);4H,1-3H3;2H2,1H3
InChIKeyVYSOUFAZSJNOFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.12
Rot. Bonds6

About 6-aminohexanoic acid;tert-butyl formate;methanamine

6-aminohexanoic acid;tert-butyl formate;methanamine (PubChem CID 145067135) has the molecular formula C12H28N2O4 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-aminohexanoic acid;tert-butyl formate;methanamine.

Molecular Properties

Compound Name6-aminohexanoic acid;tert-butyl formate;methanamine
PubChem CID145067135
Molecular FormulaC12H28N2O4
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-aminohexanoic acid;tert-butyl formate;methanamine
SMILESCC(C)(C)OC=O.CN.NCCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C5H10O2.CH5N/c7-5-3-1-2-4-6(8)9;1-5(2,3)7-4-6;1-2/h1-5,7H2,(H,8,9);4H,1-3H3;2H2,1H3
InChIKeyVYSOUFAZSJNOFX-UHFFFAOYSA-N
XLogP1.12
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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6-aminohexanoic acid;ethane;molecular hydrogen
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12-aminododecanoic acid;hydrochloride
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azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
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6-aminohexanoic acid;3-aminopropanoic acid
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acetylene;6-aminohexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 6-aminohexanoic acid;tert-butyl formate;methanamine?
The IUPAC name of 6-aminohexanoic acid;tert-butyl formate;methanamine (CID 145067135) is 6-aminohexanoic acid;tert-butyl formate;methanamine.
What is the SMILES notation for 6-aminohexanoic acid;tert-butyl formate;methanamine?
The canonical SMILES for 6-aminohexanoic acid;tert-butyl formate;methanamine is CC(C)(C)OC=O.CN.NCCCCCC(=O)O.
What is the InChIKey of 6-aminohexanoic acid;tert-butyl formate;methanamine?
The InChIKey is VYSOUFAZSJNOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H10O2.CH5N/c7-5-3-1-2-4-6(8)9;1-5(2,3)7-4-6;1-2/h1-5,7H2,(H,8,9);4H,1-3H3;2H2,1H3.
What are the key properties of 6-aminohexanoic acid;tert-butyl formate;methanamine?
6-aminohexanoic acid;tert-butyl formate;methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid;tert-butyl formate;methanamine is sourced from PubChem (CID 145067135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).