2-methylidenehexan-1-imine

C7H13N — CID 91505863

IUPAC2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)CCCC
InChIInChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h6,8H,2-5H2,1H3/b8-6+
InChIKeyVYOVBAIAWLUTOT-SOFGYWHQSA-N
MW111.19 g/mol
LogP2.38
Rot. Bonds4

About 2-methylidenehexan-1-imine

2-methylidenehexan-1-imine (PubChem CID 91505863) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methylidenehexan-1-imine.

Molecular Properties

Compound Name2-methylidenehexan-1-imine
PubChem CID91505863
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methylidenehexan-1-imine
SMILES[H]/N=C/C(=C)CCCC
InChIInChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h6,8H,2-5H2,1H3/b8-6+
InChIKeyVYOVBAIAWLUTOT-SOFGYWHQSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(fluoromethylidene)butan-1-imine
CID 134189384
6,6,6-Trifluoro-2-methylidenehexan-1-imine
CID 142825126
3-Methylbut-3-en-1-imine
CID 57143050
4-Methyl-2-methylidenepentan-1-imine
CID 58352435
3-Methyl-2-methylidenebutan-1-imine
CID 58767681
N-methyl-2-methylidenepentan-1-imine
CID 88568548
(Z)-2-methanimidoylpent-1-en-1-amine
CID 88907192
(Z)-2-methanimidoylhex-1-en-1-amine
CID 89024272
2-Methylidenebutan-1-imine
CID 91570405
(2Z)-2-ethylidenepentan-1-imine
CID 122651383
4-Methylideneheptan-1-imine
CID 123245757
2-Ethylidenepentan-1-imine
CID 123770845

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexan-1-imine?
The IUPAC name of 2-methylidenehexan-1-imine (CID 91505863) is 2-methylidenehexan-1-imine.
What is the SMILES notation for 2-methylidenehexan-1-imine?
The canonical SMILES for 2-methylidenehexan-1-imine is [H]/N=C/C(=C)CCCC.
What is the InChIKey of 2-methylidenehexan-1-imine?
The InChIKey is VYOVBAIAWLUTOT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h6,8H,2-5H2,1H3/b8-6+.
What are the key properties of 2-methylidenehexan-1-imine?
2-methylidenehexan-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexan-1-imine is sourced from PubChem (CID 91505863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).