5-(methoxymethyl)heptan-1-amine

C9H21NO — CID 89131391

IUPAC5-(methoxymethyl)heptan-1-amine
SMILESCCC(CCCCN)COC
InChIInChI=1S/C9H21NO/c1-3-9(8-11-2)6-4-5-7-10/h9H,3-8,10H2,1-2H3
InChIKeyDRFADLSJJCNSTO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds7

About 5-(methoxymethyl)heptan-1-amine

5-(methoxymethyl)heptan-1-amine (PubChem CID 89131391) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound Name5-(methoxymethyl)heptan-1-amine
PubChem CID89131391
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-(methoxymethyl)heptan-1-amine
SMILESCCC(CCCCN)COC
InChIInChI=1S/C9H21NO/c1-3-9(8-11-2)6-4-5-7-10/h9H,3-8,10H2,1-2H3
InChIKeyDRFADLSJJCNSTO-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)heptan-1-amine?
The IUPAC name of 5-(methoxymethyl)heptan-1-amine (CID 89131391) is 5-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for 5-(methoxymethyl)heptan-1-amine?
The canonical SMILES for 5-(methoxymethyl)heptan-1-amine is CCC(CCCCN)COC.
What is the InChIKey of 5-(methoxymethyl)heptan-1-amine?
The InChIKey is DRFADLSJJCNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-9(8-11-2)6-4-5-7-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)heptan-1-amine?
5-(methoxymethyl)heptan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 89131391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).