4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane

C13H27N — CID 142387756

IUPAC4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane
SMILESC=C(C)/N=C(\C)CC(C)CC.CCC
InChIInChI=1S/C10H19N.C3H8/c1-6-9(4)7-10(5)11-8(2)3;1-3-2/h9H,2,6-7H2,1,3-5H3;3H2,1-2H3/b11-10+;
InChIKeyGTPWHGBZZRGWEC-ASTDGNLGSA-N
MW197.37 g/mol
LogP4.83
Rot. Bonds4

About 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane

4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane (PubChem CID 142387756) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane.

Molecular Properties

Compound Name4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane
PubChem CID142387756
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane
SMILESC=C(C)/N=C(\C)CC(C)CC.CCC
InChIInChI=1S/C10H19N.C3H8/c1-6-9(4)7-10(5)11-8(2)3;1-3-2/h9H,2,6-7H2,1,3-5H3;3H2,1-2H3/b11-10+;
InChIKeyGTPWHGBZZRGWEC-ASTDGNLGSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane?
The IUPAC name of 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane (CID 142387756) is 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane.
What is the SMILES notation for 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane?
The canonical SMILES for 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane is C=C(C)/N=C(\C)CC(C)CC.CCC.
What is the InChIKey of 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane?
The InChIKey is GTPWHGBZZRGWEC-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H19N.C3H8/c1-6-9(4)7-10(5)11-8(2)3;1-3-2/h9H,2,6-7H2,1,3-5H3;3H2,1-2H3/b11-10+;.
What are the key properties of 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane?
4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane has a molecular weight of 197.37 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane is sourced from PubChem (CID 142387756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).