N-(3-methoxyheptan-4-yl)methanimine

C9H19NO — CID 155199608

IUPACN-(3-methoxyheptan-4-yl)methanimine
SMILESC=NC(CCC)C(CC)OC
InChIInChI=1S/C9H19NO/c1-5-7-8(10-3)9(6-2)11-4/h8-9H,3,5-7H2,1-2,4H3
InChIKeyYQXKAXANGRGTGP-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.28
Rot. Bonds6

About N-(3-methoxyheptan-4-yl)methanimine

N-(3-methoxyheptan-4-yl)methanimine (PubChem CID 155199608) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(3-methoxyheptan-4-yl)methanimine.

Molecular Properties

Compound NameN-(3-methoxyheptan-4-yl)methanimine
PubChem CID155199608
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(3-methoxyheptan-4-yl)methanimine
SMILESC=NC(CCC)C(CC)OC
InChIInChI=1S/C9H19NO/c1-5-7-8(10-3)9(6-2)11-4/h8-9H,3,5-7H2,1-2,4H3
InChIKeyYQXKAXANGRGTGP-UHFFFAOYSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyheptan-4-yl)methanimine?
The IUPAC name of N-(3-methoxyheptan-4-yl)methanimine (CID 155199608) is N-(3-methoxyheptan-4-yl)methanimine.
What is the SMILES notation for N-(3-methoxyheptan-4-yl)methanimine?
The canonical SMILES for N-(3-methoxyheptan-4-yl)methanimine is C=NC(CCC)C(CC)OC.
What is the InChIKey of N-(3-methoxyheptan-4-yl)methanimine?
The InChIKey is YQXKAXANGRGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-8(10-3)9(6-2)11-4/h8-9H,3,5-7H2,1-2,4H3.
What are the key properties of N-(3-methoxyheptan-4-yl)methanimine?
N-(3-methoxyheptan-4-yl)methanimine has a molecular weight of 157.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyheptan-4-yl)methanimine is sourced from PubChem (CID 155199608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).