(E)-4,4-dimethyl-N-propoxypentan-2-imine

C10H21NO — CID 59351043

IUPAC(E)-4,4-dimethyl-N-propoxypentan-2-imine
SMILESCCCO/N=C(\C)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-7-12-11-9(2)8-10(3,4)5/h6-8H2,1-5H3/b11-9+
InChIKeyVECPMUCWGHGRSZ-PKNBQFBNSA-N
MW171.28 g/mol
LogP3.23
Rot. Bonds4

About (E)-4,4-dimethyl-N-propoxypentan-2-imine

(E)-4,4-dimethyl-N-propoxypentan-2-imine (PubChem CID 59351043) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-4,4-dimethyl-N-propoxypentan-2-imine.

Molecular Properties

Compound Name(E)-4,4-dimethyl-N-propoxypentan-2-imine
PubChem CID59351043
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-4,4-dimethyl-N-propoxypentan-2-imine
SMILESCCCO/N=C(\C)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-7-12-11-9(2)8-10(3,4)5/h6-8H2,1-5H3/b11-9+
InChIKeyVECPMUCWGHGRSZ-PKNBQFBNSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.23
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 (E)-4,4-dimethyl-N-propoxypentan-2-imine?
The IUPAC name of (E)-4,4-dimethyl-N-propoxypentan-2-imine (CID 59351043) is (E)-4,4-dimethyl-N-propoxypentan-2-imine.
What is the SMILES notation for (E)-4,4-dimethyl-N-propoxypentan-2-imine?
The canonical SMILES for (E)-4,4-dimethyl-N-propoxypentan-2-imine is CCCO/N=C(\C)CC(C)(C)C.
What is the InChIKey of (E)-4,4-dimethyl-N-propoxypentan-2-imine?
The InChIKey is VECPMUCWGHGRSZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-12-11-9(2)8-10(3,4)5/h6-8H2,1-5H3/b11-9+.
What are the key properties of (E)-4,4-dimethyl-N-propoxypentan-2-imine?
(E)-4,4-dimethyl-N-propoxypentan-2-imine has a molecular weight of 171.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-N-propoxypentan-2-imine is sourced from PubChem (CID 59351043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).