2-methyl-N-(oxan-4-yl)propan-1-imine

C9H17NO — CID 123980513

IUPAC2-methyl-N-(oxan-4-yl)propan-1-imine
SMILESCC(C)/C=N/C1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-10-9-3-5-11-6-4-9/h7-9H,3-6H2,1-2H3/b10-7+
InChIKeyZZICZHHGUQUYHN-JXMROGBWSA-N
MW155.24 g/mol
LogP1.89
Rot. Bonds2

About 2-methyl-N-(oxan-4-yl)propan-1-imine

2-methyl-N-(oxan-4-yl)propan-1-imine (PubChem CID 123980513) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-yl)propan-1-imine
PubChem CID123980513
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-(oxan-4-yl)propan-1-imine
SMILESCC(C)/C=N/C1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)7-10-9-3-5-11-6-4-9/h7-9H,3-6H2,1-2H3/b10-7+
InChIKeyZZICZHHGUQUYHN-JXMROGBWSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66867748
CID 66867748
CID 68775785
CID 68775785
CID 123654655
CID 123654655
CID 123973624
CID 123973624
CID 129305119
CID 129305119
CID 134221082
CID 134221082
CID 143755074
CID 143755074
CID 143755075
CID 143755075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-yl)propan-1-imine?
The IUPAC name of 2-methyl-N-(oxan-4-yl)propan-1-imine (CID 123980513) is 2-methyl-N-(oxan-4-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(oxan-4-yl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(oxan-4-yl)propan-1-imine is CC(C)/C=N/C1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-yl)propan-1-imine?
The InChIKey is ZZICZHHGUQUYHN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-10-9-3-5-11-6-4-9/h7-9H,3-6H2,1-2H3/b10-7+.
What are the key properties of 2-methyl-N-(oxan-4-yl)propan-1-imine?
2-methyl-N-(oxan-4-yl)propan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-yl)propan-1-imine is sourced from PubChem (CID 123980513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).