N-cyclopentylbut-3-en-2-imine

C9H15N — CID 169181897

IUPACN-cyclopentylbut-3-en-2-imine
SMILESC=C/C(C)=N/C1CCCC1
InChIInChI=1S/C9H15N/c1-3-8(2)10-9-6-4-5-7-9/h3,9H,1,4-7H2,2H3/b10-8+
InChIKeyAKGFMHJHTOZGRR-CSKARUKUSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About N-cyclopentylbut-3-en-2-imine

N-cyclopentylbut-3-en-2-imine (PubChem CID 169181897) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-cyclopentylbut-3-en-2-imine.

Molecular Properties

Compound NameN-cyclopentylbut-3-en-2-imine
PubChem CID169181897
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-cyclopentylbut-3-en-2-imine
SMILESC=C/C(C)=N/C1CCCC1
InChIInChI=1S/C9H15N/c1-3-8(2)10-9-6-4-5-7-9/h3,9H,1,4-7H2,2H3/b10-8+
InChIKeyAKGFMHJHTOZGRR-CSKARUKUSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylbut-3-en-2-imine
CID 12524824
N-butylbut-3-en-2-imine
CID 123746892
5-ethenyl-2-methyl-3,4-dihydro-2H-pyrrole
CID 141258835

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylbut-3-en-2-imine?
The IUPAC name of N-cyclopentylbut-3-en-2-imine (CID 169181897) is N-cyclopentylbut-3-en-2-imine.
What is the SMILES notation for N-cyclopentylbut-3-en-2-imine?
The canonical SMILES for N-cyclopentylbut-3-en-2-imine is C=C/C(C)=N/C1CCCC1.
What is the InChIKey of N-cyclopentylbut-3-en-2-imine?
The InChIKey is AKGFMHJHTOZGRR-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)10-9-6-4-5-7-9/h3,9H,1,4-7H2,2H3/b10-8+.
What are the key properties of N-cyclopentylbut-3-en-2-imine?
N-cyclopentylbut-3-en-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylbut-3-en-2-imine is sourced from PubChem (CID 169181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).