7-methoxy-3-methylheptan-3-amine

C9H21NO — CID 104650485

IUPAC7-methoxy-3-methylheptan-3-amine
SMILESCCC(C)(N)CCCCOC
InChIInChI=1S/C9H21NO/c1-4-9(2,10)7-5-6-8-11-3/h4-8,10H2,1-3H3
InChIKeyYWSJVTCUDGCCIM-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds6

About 7-methoxy-3-methylheptan-3-amine

7-methoxy-3-methylheptan-3-amine (PubChem CID 104650485) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 7-methoxy-3-methylheptan-3-amine.

Molecular Properties

Compound Name7-methoxy-3-methylheptan-3-amine
PubChem CID104650485
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name7-methoxy-3-methylheptan-3-amine
SMILESCCC(C)(N)CCCCOC
InChIInChI=1S/C9H21NO/c1-4-9(2,10)7-5-6-8-11-3/h4-8,10H2,1-3H3
InChIKeyYWSJVTCUDGCCIM-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
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

3-ethyl-7-methoxyheptan-3-amine
CID 104650482
6-methoxy-2-methylhexan-2-amine
CID 94975413
1-(3-methoxypropoxy)-2-methylbutan-2-amine
CID 64573392
1-methoxy-3-methyldodecan-3-amine
CID 62620545
3-methyloctadecan-3-amine
CID 54058172
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
3-methylheptan-3-amine
CID 91396361
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
1,6-dimethoxy-6-methylheptane
CID 89190127
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
6-methoxy-3-methylhexan-3-ol
CID 114851780

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methylheptan-3-amine?
The IUPAC name of 7-methoxy-3-methylheptan-3-amine (CID 104650485) is 7-methoxy-3-methylheptan-3-amine.
What is the SMILES notation for 7-methoxy-3-methylheptan-3-amine?
The canonical SMILES for 7-methoxy-3-methylheptan-3-amine is CCC(C)(N)CCCCOC.
What is the InChIKey of 7-methoxy-3-methylheptan-3-amine?
The InChIKey is YWSJVTCUDGCCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(2,10)7-5-6-8-11-3/h4-8,10H2,1-3H3.
What are the key properties of 7-methoxy-3-methylheptan-3-amine?
7-methoxy-3-methylheptan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylheptan-3-amine is sourced from PubChem (CID 104650485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).