N-methyl-4-propan-2-yloxyhexan-3-imine

C10H21NO — CID 146215913

IUPACN-methyl-4-propan-2-yloxyhexan-3-imine
SMILESCC/C(=N\C)C(CC)OC(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-5)10(7-2)12-8(3)4/h8,10H,6-7H2,1-5H3/b11-9+
InChIKeyMHEIDOSYBYFNSJ-PKNBQFBNSA-N
MW171.28 g/mol
LogP2.67
Rot. Bonds5

About N-methyl-4-propan-2-yloxyhexan-3-imine

N-methyl-4-propan-2-yloxyhexan-3-imine (PubChem CID 146215913) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxyhexan-3-imine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxyhexan-3-imine
PubChem CID146215913
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-4-propan-2-yloxyhexan-3-imine
SMILESCC/C(=N\C)C(CC)OC(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-5)10(7-2)12-8(3)4/h8,10H,6-7H2,1-5H3/b11-9+
InChIKeyMHEIDOSYBYFNSJ-PKNBQFBNSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxyhexan-3-imine?
The IUPAC name of N-methyl-4-propan-2-yloxyhexan-3-imine (CID 146215913) is N-methyl-4-propan-2-yloxyhexan-3-imine.
What is the SMILES notation for N-methyl-4-propan-2-yloxyhexan-3-imine?
The canonical SMILES for N-methyl-4-propan-2-yloxyhexan-3-imine is CC/C(=N\C)C(CC)OC(C)C.
What is the InChIKey of N-methyl-4-propan-2-yloxyhexan-3-imine?
The InChIKey is MHEIDOSYBYFNSJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(11-5)10(7-2)12-8(3)4/h8,10H,6-7H2,1-5H3/b11-9+.
What are the key properties of N-methyl-4-propan-2-yloxyhexan-3-imine?
N-methyl-4-propan-2-yloxyhexan-3-imine has a molecular weight of 171.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxyhexan-3-imine is sourced from PubChem (CID 146215913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).