N-(4-ethoxy-4-methylpentyl)propan-2-imine

C11H23NO — CID 151387222

IUPACN-(4-ethoxy-4-methylpentyl)propan-2-imine
SMILESCCOC(C)(C)CCCN=C(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(4,5)8-7-9-12-10(2)3/h6-9H2,1-5H3
InChIKeyOTRDPNNMGQCPNK-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.06
Rot. Bonds6

About N-(4-ethoxy-4-methylpentyl)propan-2-imine

N-(4-ethoxy-4-methylpentyl)propan-2-imine (PubChem CID 151387222) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(4-ethoxy-4-methylpentyl)propan-2-imine.

Molecular Properties

Compound NameN-(4-ethoxy-4-methylpentyl)propan-2-imine
PubChem CID151387222
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(4-ethoxy-4-methylpentyl)propan-2-imine
SMILESCCOC(C)(C)CCCN=C(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(4,5)8-7-9-12-10(2)3/h6-9H2,1-5H3
InChIKeyOTRDPNNMGQCPNK-UHFFFAOYSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.06
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-(4-ethoxy-4-methylpentyl)propan-2-imine?
The IUPAC name of N-(4-ethoxy-4-methylpentyl)propan-2-imine (CID 151387222) is N-(4-ethoxy-4-methylpentyl)propan-2-imine.
What is the SMILES notation for N-(4-ethoxy-4-methylpentyl)propan-2-imine?
The canonical SMILES for N-(4-ethoxy-4-methylpentyl)propan-2-imine is CCOC(C)(C)CCCN=C(C)C.
What is the InChIKey of N-(4-ethoxy-4-methylpentyl)propan-2-imine?
The InChIKey is OTRDPNNMGQCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-13-11(4,5)8-7-9-12-10(2)3/h6-9H2,1-5H3.
What are the key properties of N-(4-ethoxy-4-methylpentyl)propan-2-imine?
N-(4-ethoxy-4-methylpentyl)propan-2-imine has a molecular weight of 185.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-4-methylpentyl)propan-2-imine is sourced from PubChem (CID 151387222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).