methane;7-methoxyheptan-1-amine

C9H23NO — CID 160693233

IUPACmethane;7-methoxyheptan-1-amine
SMILESC.COCCCCCCCN
InChIInChI=1S/C8H19NO.CH4/c1-10-8-6-4-2-3-5-7-9;/h2-9H2,1H3;1H4
InChIKeyRPRGLHIRQQVANX-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.18
Rot. Bonds7

About methane;7-methoxyheptan-1-amine

methane;7-methoxyheptan-1-amine (PubChem CID 160693233) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is methane;7-methoxyheptan-1-amine.

Molecular Properties

Compound Namemethane;7-methoxyheptan-1-amine
PubChem CID160693233
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Namemethane;7-methoxyheptan-1-amine
SMILESC.COCCCCCCCN
InChIInChI=1S/C8H19NO.CH4/c1-10-8-6-4-2-3-5-7-9;/h2-9H2,1H3;1H4
InChIKeyRPRGLHIRQQVANX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.18
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

6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
azane;3-methoxypropan-1-amine
CID 172866087
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
4-(3-methoxypropylsulfanyl)butan-1-amine
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;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
CID 142385980
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 methane;7-methoxyheptan-1-amine?
The IUPAC name of methane;7-methoxyheptan-1-amine (CID 160693233) is methane;7-methoxyheptan-1-amine.
What is the SMILES notation for methane;7-methoxyheptan-1-amine?
The canonical SMILES for methane;7-methoxyheptan-1-amine is C.COCCCCCCCN.
What is the InChIKey of methane;7-methoxyheptan-1-amine?
The InChIKey is RPRGLHIRQQVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.CH4/c1-10-8-6-4-2-3-5-7-9;/h2-9H2,1H3;1H4.
What are the key properties of methane;7-methoxyheptan-1-amine?
methane;7-methoxyheptan-1-amine has a molecular weight of 161.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methoxyheptan-1-amine is sourced from PubChem (CID 160693233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).