2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine

C14H28N2 — CID 6451166

IUPAC2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine
SMILESCC(C)/C=N/CCCCCC/N=C/C(C)C
InChIInChI=1S/C14H28N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h11-14H,5-10H2,1-4H3/b15-11+,16-12+
InChIKeyXTAANFYOBZRPCD-JOBJLJCHSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds9

About 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine

2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine (PubChem CID 6451166) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine
PubChem CID6451166
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine
SMILESCC(C)/C=N/CCCCCC/N=C/C(C)C
InChIInChI=1S/C14H28N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h11-14H,5-10H2,1-4H3/b15-11+,16-12+
InChIKeyXTAANFYOBZRPCD-JOBJLJCHSA-N
XLogP4.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine?
The IUPAC name of 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine (CID 6451166) is 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine is CC(C)/C=N/CCCCCC/N=C/C(C)C.
What is the InChIKey of 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine?
The InChIKey is XTAANFYOBZRPCD-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h11-14H,5-10H2,1-4H3/b15-11+,16-12+.
What are the key properties of 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine?
2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine has a molecular weight of 224.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methylpropylideneamino)hexyl]propan-1-imine is sourced from PubChem (CID 6451166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).