(5R)-5-methoxyoctan-2-imine

C9H19NO — CID 129313720

IUPAC(5R)-5-methoxyoctan-2-imine
SMILES[H]/N=C(\C)CC[C@@H](CCC)OC
InChIInChI=1S/C9H19NO/c1-4-5-9(11-3)7-6-8(2)10/h9-10H,4-7H2,1-3H3/b10-8+/t9-/m1/s1
InChIKeyZIYVEICQDPPBGS-NCXKZPMSSA-N
MW157.26 g/mol
LogP2.62
Rot. Bonds6

About (5R)-5-methoxyoctan-2-imine

(5R)-5-methoxyoctan-2-imine (PubChem CID 129313720) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (5R)-5-methoxyoctan-2-imine.

Molecular Properties

Compound Name(5R)-5-methoxyoctan-2-imine
PubChem CID129313720
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(5R)-5-methoxyoctan-2-imine
SMILES[H]/N=C(\C)CC[C@@H](CCC)OC
InChIInChI=1S/C9H19NO/c1-4-5-9(11-3)7-6-8(2)10/h9-10H,4-7H2,1-3H3/b10-8+/t9-/m1/s1
InChIKeyZIYVEICQDPPBGS-NCXKZPMSSA-N
XLogP2.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 (5R)-5-methoxyoctan-2-imine?
The IUPAC name of (5R)-5-methoxyoctan-2-imine (CID 129313720) is (5R)-5-methoxyoctan-2-imine.
What is the SMILES notation for (5R)-5-methoxyoctan-2-imine?
The canonical SMILES for (5R)-5-methoxyoctan-2-imine is [H]/N=C(\C)CC[C@@H](CCC)OC.
What is the InChIKey of (5R)-5-methoxyoctan-2-imine?
The InChIKey is ZIYVEICQDPPBGS-NCXKZPMSSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-9(11-3)7-6-8(2)10/h9-10H,4-7H2,1-3H3/b10-8+/t9-/m1/s1.
What are the key properties of (5R)-5-methoxyoctan-2-imine?
(5R)-5-methoxyoctan-2-imine has a molecular weight of 157.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxyoctan-2-imine is sourced from PubChem (CID 129313720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).