8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine

C13H24N2 — CID 123650028

IUPAC8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine
SMILES[H]/N=C(\CCCCC=CC(C)C)C1NC1C
InChIInChI=1S/C13H24N2/c1-10(2)8-6-4-5-7-9-12(14)13-11(3)15-13/h6,8,10-11,13-15H,4-5,7,9H2,1-3H3/b8-6?,14-12+
InChIKeyJLAYRRIFSKYNLK-KAUAOYBESA-N
MW208.35 g/mol
LogP3.14
Rot. Bonds7

About 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine

8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine (PubChem CID 123650028) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine.

Molecular Properties

Compound Name8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine
PubChem CID123650028
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine
SMILES[H]/N=C(\CCCCC=CC(C)C)C1NC1C
InChIInChI=1S/C13H24N2/c1-10(2)8-6-4-5-7-9-12(14)13-11(3)15-13/h6,8,10-11,13-15H,4-5,7,9H2,1-3H3/b8-6?,14-12+
InChIKeyJLAYRRIFSKYNLK-KAUAOYBESA-N
XLogP3.14
TPSA45.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
N'-heptatriaconta-6,9,28,31-tetraen-19-yl-2-methyliminobutane-1,4-diamine
CID 123916330
3-imino-N,11-dimethyldodec-10-en-2-amine
CID 155364759
(Z)-2-methyl-6-[(2S,3R)-3-pentylaziridin-2-yl]hex-3-en-2-amine
CID 173486356
1-(6-Ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine
CID 176943094

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine?
The IUPAC name of 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine (CID 123650028) is 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine.
What is the SMILES notation for 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine?
The canonical SMILES for 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine is [H]/N=C(\CCCCC=CC(C)C)C1NC1C.
What is the InChIKey of 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine?
The InChIKey is JLAYRRIFSKYNLK-KAUAOYBESA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)8-6-4-5-7-9-12(14)13-11(3)15-13/h6,8,10-11,13-15H,4-5,7,9H2,1-3H3/b8-6?,14-12+.
What are the key properties of 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine?
8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine has a molecular weight of 208.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3-methylaziridin-2-yl)non-6-en-1-imine is sourced from PubChem (CID 123650028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).