N-(5-methylideneheptan-3-yl)methanimine

C9H17N — CID 158584792

IUPACN-(5-methylideneheptan-3-yl)methanimine
SMILESC=NC(CC)CC(=C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h9H,3-7H2,1-2H3
InChIKeyCSVOXKHNRMJYIB-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds5

About N-(5-methylideneheptan-3-yl)methanimine

N-(5-methylideneheptan-3-yl)methanimine (PubChem CID 158584792) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(5-methylideneheptan-3-yl)methanimine.

Molecular Properties

Compound NameN-(5-methylideneheptan-3-yl)methanimine
PubChem CID158584792
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(5-methylideneheptan-3-yl)methanimine
SMILESC=NC(CC)CC(=C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h9H,3-7H2,1-2H3
InChIKeyCSVOXKHNRMJYIB-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
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

N-(5-methylidenenonan-4-yl)butan-1-imine
CID 11195157
N-(2-methylidenehexyl)methanimine
CID 89785528
N-(6-methyl-5-methylidenehept-6-enyl)methanimine
CID 91160163
N-(8-methyldeca-1,8,9-trien-2-yl)methanimine
CID 91381985
N-(6-methylideneoctyl)ethanimine
CID 123581746
N-(6-methylhept-6-en-2-yl)propan-2-imine
CID 123901074
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-oct-1-en-4-ylmethanimine
CID 124181393
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N-oct-7-en-4-ylmethanimine
CID 130450405
N-(6,7-dimethyloct-6-en-2-yl)methanimine
CID 132050909
N-(2-methyl-6-methylideneocta-1,7-dien-3-yl)methanimine
CID 139514343

Frequently Asked Questions

What is the IUPAC name of N-(5-methylideneheptan-3-yl)methanimine?
The IUPAC name of N-(5-methylideneheptan-3-yl)methanimine (CID 158584792) is N-(5-methylideneheptan-3-yl)methanimine.
What is the SMILES notation for N-(5-methylideneheptan-3-yl)methanimine?
The canonical SMILES for N-(5-methylideneheptan-3-yl)methanimine is C=NC(CC)CC(=C)CC.
What is the InChIKey of N-(5-methylideneheptan-3-yl)methanimine?
The InChIKey is CSVOXKHNRMJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h9H,3-7H2,1-2H3.
What are the key properties of N-(5-methylideneheptan-3-yl)methanimine?
N-(5-methylideneheptan-3-yl)methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylideneheptan-3-yl)methanimine is sourced from PubChem (CID 158584792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).