N-methyl-4-methylidenehexan-3-imine

C8H15N — CID 123726902

IUPACN-methyl-4-methylidenehexan-3-imine
SMILESC=C(CC)/C(CC)=N/C
InChIInChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h3,5-6H2,1-2,4H3/b9-8+
InChIKeyZGXXHXMGGZOYBL-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds3

About N-methyl-4-methylidenehexan-3-imine

N-methyl-4-methylidenehexan-3-imine (PubChem CID 123726902) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-methyl-4-methylidenehexan-3-imine.

Molecular Properties

Compound NameN-methyl-4-methylidenehexan-3-imine
PubChem CID123726902
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-methyl-4-methylidenehexan-3-imine
SMILESC=C(CC)/C(CC)=N/C
InChIInChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h3,5-6H2,1-2,4H3/b9-8+
InChIKeyZGXXHXMGGZOYBL-CMDGGOBGSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1-trifluoro-N,5-dimethylhex-5-en-2-imine
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5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
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N,3-dimethylbut-3-en-2-imine
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N,4-dimethylpent-4-en-2-imine
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1-(3-Methanidylidenepentan-2-ylideneamino)ethylidenevanadium
CID 59577849
2,3-Diethylazete
CID 68135013
N-methylhept-6-en-3-imine
CID 85546229
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
(Z)-N,3-dimethylhept-2-en-4-imine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylidenehexan-3-imine?
The IUPAC name of N-methyl-4-methylidenehexan-3-imine (CID 123726902) is N-methyl-4-methylidenehexan-3-imine.
What is the SMILES notation for N-methyl-4-methylidenehexan-3-imine?
The canonical SMILES for N-methyl-4-methylidenehexan-3-imine is C=C(CC)/C(CC)=N/C.
What is the InChIKey of N-methyl-4-methylidenehexan-3-imine?
The InChIKey is ZGXXHXMGGZOYBL-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h3,5-6H2,1-2,4H3/b9-8+.
What are the key properties of N-methyl-4-methylidenehexan-3-imine?
N-methyl-4-methylidenehexan-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidenehexan-3-imine is sourced from PubChem (CID 123726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).