2,4-dimethyl-N-prop-2-enoxypentan-3-imine

C10H19NO — CID 153275905

IUPAC2,4-dimethyl-N-prop-2-enoxypentan-3-imine
SMILESC=CCON=C(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-6-7-12-11-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyUCIWZAGNJZWAMV-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.86
Rot. Bonds5

About 2,4-dimethyl-N-prop-2-enoxypentan-3-imine

2,4-dimethyl-N-prop-2-enoxypentan-3-imine (PubChem CID 153275905) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,4-dimethyl-N-prop-2-enoxypentan-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-prop-2-enoxypentan-3-imine
PubChem CID153275905
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,4-dimethyl-N-prop-2-enoxypentan-3-imine
SMILESC=CCON=C(C(C)C)C(C)C
InChIInChI=1S/C10H19NO/c1-6-7-12-11-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyUCIWZAGNJZWAMV-UHFFFAOYSA-N
XLogP2.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.86
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'}, {'alert_name': 'isolated_alkene', '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 2,4-dimethyl-N-prop-2-enoxypentan-3-imine?
The IUPAC name of 2,4-dimethyl-N-prop-2-enoxypentan-3-imine (CID 153275905) is 2,4-dimethyl-N-prop-2-enoxypentan-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-prop-2-enoxypentan-3-imine?
The canonical SMILES for 2,4-dimethyl-N-prop-2-enoxypentan-3-imine is C=CCON=C(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-N-prop-2-enoxypentan-3-imine?
The InChIKey is UCIWZAGNJZWAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-12-11-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of 2,4-dimethyl-N-prop-2-enoxypentan-3-imine?
2,4-dimethyl-N-prop-2-enoxypentan-3-imine has a molecular weight of 169.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-prop-2-enoxypentan-3-imine is sourced from PubChem (CID 153275905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).