(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine

C10H21NO — CID 58845568

IUPAC(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine
SMILESCO/N=C(/CC(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-12-6)10(3,4)5/h8H,7H2,1-6H3/b11-9-
InChIKeyPSRBCRMZYPEEGQ-LUAWRHEFSA-N
MW171.28 g/mol
LogP3.08
Rot. Bonds3

About (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine

(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine (PubChem CID 58845568) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine
PubChem CID58845568
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine
SMILESCO/N=C(/CC(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-12-6)10(3,4)5/h8H,7H2,1-6H3/b11-9-
InChIKeyPSRBCRMZYPEEGQ-LUAWRHEFSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine?
The IUPAC name of (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine (CID 58845568) is (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine.
What is the SMILES notation for (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine?
The canonical SMILES for (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine is CO/N=C(/CC(C)C)C(C)(C)C.
What is the InChIKey of (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine?
The InChIKey is PSRBCRMZYPEEGQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-9(11-12-6)10(3,4)5/h8H,7H2,1-6H3/b11-9-.
What are the key properties of (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine?
(Z)-N-methoxy-2,2,5-trimethylhexan-3-imine has a molecular weight of 171.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-2,2,5-trimethylhexan-3-imine is sourced from PubChem (CID 58845568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).