N-(3-methylhept-2-en-2-yl)methanimine

C9H17N — CID 123226478

IUPACN-(3-methylhept-2-en-2-yl)methanimine
SMILESC=NC(C)=C(C)CCCC
InChIInChI=1S/C9H17N/c1-5-6-7-8(2)9(3)10-4/h4-7H2,1-3H3
InChIKeyVAUPZXCLRCPBMR-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds4

About N-(3-methylhept-2-en-2-yl)methanimine

N-(3-methylhept-2-en-2-yl)methanimine (PubChem CID 123226478) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(3-methylhept-2-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylhept-2-en-2-yl)methanimine
PubChem CID123226478
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(3-methylhept-2-en-2-yl)methanimine
SMILESC=NC(C)=C(C)CCCC
InChIInChI=1S/C9H17N/c1-5-6-7-8(2)9(3)10-4/h4-7H2,1-3H3
InChIKeyVAUPZXCLRCPBMR-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylhept-2-en-2-yl)methanimine?
The IUPAC name of N-(3-methylhept-2-en-2-yl)methanimine (CID 123226478) is N-(3-methylhept-2-en-2-yl)methanimine.
What is the SMILES notation for N-(3-methylhept-2-en-2-yl)methanimine?
The canonical SMILES for N-(3-methylhept-2-en-2-yl)methanimine is C=NC(C)=C(C)CCCC.
What is the InChIKey of N-(3-methylhept-2-en-2-yl)methanimine?
The InChIKey is VAUPZXCLRCPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-7-8(2)9(3)10-4/h4-7H2,1-3H3.
What are the key properties of N-(3-methylhept-2-en-2-yl)methanimine?
N-(3-methylhept-2-en-2-yl)methanimine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhept-2-en-2-yl)methanimine is sourced from PubChem (CID 123226478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).