N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine

C14H25N — CID 137396889

IUPACN-(2-methyl-3-pent-2-enylcycloheptyl)methanimine
SMILESC=NC1CCCCC(CC=CCC)C1C
InChIInChI=1S/C14H25N/c1-4-5-6-9-13-10-7-8-11-14(15-3)12(13)2/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyVKVDVQWFVMDTID-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds4

About N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine

N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine (PubChem CID 137396889) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine.

Molecular Properties

Compound NameN-(2-methyl-3-pent-2-enylcycloheptyl)methanimine
PubChem CID137396889
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(2-methyl-3-pent-2-enylcycloheptyl)methanimine
SMILESC=NC1CCCCC(CC=CCC)C1C
InChIInChI=1S/C14H25N/c1-4-5-6-9-13-10-7-8-11-14(15-3)12(13)2/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyVKVDVQWFVMDTID-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine?
The IUPAC name of N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine (CID 137396889) is N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine.
What is the SMILES notation for N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine?
The canonical SMILES for N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine is C=NC1CCCCC(CC=CCC)C1C.
What is the InChIKey of N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine?
The InChIKey is VKVDVQWFVMDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-6-9-13-10-7-8-11-14(15-3)12(13)2/h5-6,12-14H,3-4,7-11H2,1-2H3.
What are the key properties of N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine?
N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine is sourced from PubChem (CID 137396889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).