4-methylideneheptan-1-imine

C8H15N — CID 123245757

IUPAC4-methylideneheptan-1-imine
SMILES[H]/N=C/CCC(=C)CCC
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h7,9H,2-6H2,1H3/b9-7+
InChIKeyGLZAKNSWBACRCF-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.77
Rot. Bonds5

About 4-methylideneheptan-1-imine

4-methylideneheptan-1-imine (PubChem CID 123245757) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methylideneheptan-1-imine.

Molecular Properties

Compound Name4-methylideneheptan-1-imine
PubChem CID123245757
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methylideneheptan-1-imine
SMILES[H]/N=C/CCC(=C)CCC
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h7,9H,2-6H2,1H3/b9-7+
InChIKeyGLZAKNSWBACRCF-VQHVLOKHSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.77
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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Related Compounds

3-Methylbut-3-en-1-imine
CID 57143050
Oct-7-en-1-imine
CID 57169231
6-Ethylideneundecan-1-imine
CID 87825837
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
9-Methyldec-8-en-1-imine
CID 91330721
8-Methylnon-7-en-1-imine
CID 91472403
2-Methylidenehexan-1-imine
CID 91505863
5,6-Dimethylhept-6-en-1-imine
CID 91525775
4-Ethylideneheptan-1-imine
CID 123236450
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
N,5-dimethylhex-5-en-1-imine
CID 123362950
N,6-dimethylhept-6-en-1-imine
CID 123689628

Frequently Asked Questions

What is the IUPAC name of 4-methylideneheptan-1-imine?
The IUPAC name of 4-methylideneheptan-1-imine (CID 123245757) is 4-methylideneheptan-1-imine.
What is the SMILES notation for 4-methylideneheptan-1-imine?
The canonical SMILES for 4-methylideneheptan-1-imine is [H]/N=C/CCC(=C)CCC.
What is the InChIKey of 4-methylideneheptan-1-imine?
The InChIKey is GLZAKNSWBACRCF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h7,9H,2-6H2,1H3/b9-7+.
What are the key properties of 4-methylideneheptan-1-imine?
4-methylideneheptan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneheptan-1-imine is sourced from PubChem (CID 123245757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).