2,2,4,4-tetramethyl-N-pentoxypentan-3-imine

C14H29NO — CID 22970414

IUPAC2,2,4,4-tetramethyl-N-pentoxypentan-3-imine
SMILESCCCCCON=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-10-11-16-15-12(13(2,3)4)14(5,6)7/h8-11H2,1-7H3
InChIKeyWRAPXDXGTCQPED-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.64
Rot. Bonds5

About 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine

2,2,4,4-tetramethyl-N-pentoxypentan-3-imine (PubChem CID 22970414) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-pentoxypentan-3-imine
PubChem CID22970414
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2,4,4-tetramethyl-N-pentoxypentan-3-imine
SMILESCCCCCON=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-10-11-16-15-12(13(2,3)4)14(5,6)7/h8-11H2,1-7H3
InChIKeyWRAPXDXGTCQPED-UHFFFAOYSA-N
XLogP4.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine?
The IUPAC name of 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine (CID 22970414) is 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine?
The canonical SMILES for 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine is CCCCCON=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine?
The InChIKey is WRAPXDXGTCQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-9-10-11-16-15-12(13(2,3)4)14(5,6)7/h8-11H2,1-7H3.
What are the key properties of 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine?
2,2,4,4-tetramethyl-N-pentoxypentan-3-imine has a molecular weight of 227.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-pentoxypentan-3-imine is sourced from PubChem (CID 22970414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).