N-(3-methoxypropyl)hexan-2-imine

C10H21NO — CID 123464638

IUPACN-(3-methoxypropyl)hexan-2-imine
SMILESCCCC/C(C)=N/CCCOC
InChIInChI=1S/C10H21NO/c1-4-5-7-10(2)11-8-6-9-12-3/h4-9H2,1-3H3/b11-10+
InChIKeyYSXWOEJQEOKRMS-ZHACJKMWSA-N
MW171.28 g/mol
LogP2.67
Rot. Bonds7

About N-(3-methoxypropyl)hexan-2-imine

N-(3-methoxypropyl)hexan-2-imine (PubChem CID 123464638) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)hexan-2-imine.

Molecular Properties

Compound NameN-(3-methoxypropyl)hexan-2-imine
PubChem CID123464638
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methoxypropyl)hexan-2-imine
SMILESCCCC/C(C)=N/CCCOC
InChIInChI=1S/C10H21NO/c1-4-5-7-10(2)11-8-6-9-12-3/h4-9H2,1-3H3/b11-10+
InChIKeyYSXWOEJQEOKRMS-ZHACJKMWSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)hexan-2-imine?
The IUPAC name of N-(3-methoxypropyl)hexan-2-imine (CID 123464638) is N-(3-methoxypropyl)hexan-2-imine.
What is the SMILES notation for N-(3-methoxypropyl)hexan-2-imine?
The canonical SMILES for N-(3-methoxypropyl)hexan-2-imine is CCCC/C(C)=N/CCCOC.
What is the InChIKey of N-(3-methoxypropyl)hexan-2-imine?
The InChIKey is YSXWOEJQEOKRMS-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-7-10(2)11-8-6-9-12-3/h4-9H2,1-3H3/b11-10+.
What are the key properties of N-(3-methoxypropyl)hexan-2-imine?
N-(3-methoxypropyl)hexan-2-imine has a molecular weight of 171.28 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)hexan-2-imine is sourced from PubChem (CID 123464638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).