5-methyl-3-prop-1-en-2-ylnonan-2-imine

C13H25N — CID 137398399

IUPAC5-methyl-3-prop-1-en-2-ylnonan-2-imine
SMILES[H]/N=C(\C)C(CC(C)CCCC)C(=C)C
InChIInChI=1S/C13H25N/c1-6-7-8-11(4)9-13(10(2)3)12(5)14/h11,13-14H,2,6-9H2,1,3-5H3/b14-12+
InChIKeyTYBIJDVDYGLUSM-WYMLVPIESA-N
MW195.35 g/mol
LogP4.43
Rot. Bonds7

About 5-methyl-3-prop-1-en-2-ylnonan-2-imine

5-methyl-3-prop-1-en-2-ylnonan-2-imine (PubChem CID 137398399) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-methyl-3-prop-1-en-2-ylnonan-2-imine.

Molecular Properties

Compound Name5-methyl-3-prop-1-en-2-ylnonan-2-imine
PubChem CID137398399
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-methyl-3-prop-1-en-2-ylnonan-2-imine
SMILES[H]/N=C(\C)C(CC(C)CCCC)C(=C)C
InChIInChI=1S/C13H25N/c1-6-7-8-11(4)9-13(10(2)3)12(5)14/h11,13-14H,2,6-9H2,1,3-5H3/b14-12+
InChIKeyTYBIJDVDYGLUSM-WYMLVPIESA-N
XLogP4.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-1-en-2-ylnonan-2-imine?
The IUPAC name of 5-methyl-3-prop-1-en-2-ylnonan-2-imine (CID 137398399) is 5-methyl-3-prop-1-en-2-ylnonan-2-imine.
What is the SMILES notation for 5-methyl-3-prop-1-en-2-ylnonan-2-imine?
The canonical SMILES for 5-methyl-3-prop-1-en-2-ylnonan-2-imine is [H]/N=C(\C)C(CC(C)CCCC)C(=C)C.
What is the InChIKey of 5-methyl-3-prop-1-en-2-ylnonan-2-imine?
The InChIKey is TYBIJDVDYGLUSM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-6-7-8-11(4)9-13(10(2)3)12(5)14/h11,13-14H,2,6-9H2,1,3-5H3/b14-12+.
What are the key properties of 5-methyl-3-prop-1-en-2-ylnonan-2-imine?
5-methyl-3-prop-1-en-2-ylnonan-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-1-en-2-ylnonan-2-imine is sourced from PubChem (CID 137398399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).