6-methoxyhexan-1-amine;molecular hydrogen

C7H19NO — CID 142390848

IUPAC6-methoxyhexan-1-amine;molecular hydrogen
SMILESCOCCCCCCN.[H][H]
InChIInChI=1S/C7H17NO.H2/c1-9-7-5-3-2-4-6-8;/h2-8H2,1H3;1H
InChIKeyCVVXQQLUSQFVDI-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.40
Rot. Bonds6

About 6-methoxyhexan-1-amine;molecular hydrogen

6-methoxyhexan-1-amine;molecular hydrogen (PubChem CID 142390848) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is 6-methoxyhexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name6-methoxyhexan-1-amine;molecular hydrogen
PubChem CID142390848
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Name6-methoxyhexan-1-amine;molecular hydrogen
SMILESCOCCCCCCN.[H][H]
InChIInChI=1S/C7H17NO.H2/c1-9-7-5-3-2-4-6-8;/h2-8H2,1H3;1H
InChIKeyCVVXQQLUSQFVDI-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
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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CID 160693233
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CID 104566819
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
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CID 63856674
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
bis(5-methoxypentyl)silane
CID 175221855
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
hexane-1,6-diamine;methanamine
CID 174275715

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexan-1-amine;molecular hydrogen?
The IUPAC name of 6-methoxyhexan-1-amine;molecular hydrogen (CID 142390848) is 6-methoxyhexan-1-amine;molecular hydrogen.
What is the SMILES notation for 6-methoxyhexan-1-amine;molecular hydrogen?
The canonical SMILES for 6-methoxyhexan-1-amine;molecular hydrogen is COCCCCCCN.[H][H].
What is the InChIKey of 6-methoxyhexan-1-amine;molecular hydrogen?
The InChIKey is CVVXQQLUSQFVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.H2/c1-9-7-5-3-2-4-6-8;/h2-8H2,1H3;1H.
What are the key properties of 6-methoxyhexan-1-amine;molecular hydrogen?
6-methoxyhexan-1-amine;molecular hydrogen has a molecular weight of 133.24 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexan-1-amine;molecular hydrogen is sourced from PubChem (CID 142390848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).