N-(4-methylcyclopenten-1-yl)butan-2-imine

C10H17N — CID 163870138

IUPACN-(4-methylcyclopenten-1-yl)butan-2-imine
SMILESCC/C(C)=N/C1=CCC(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)11-10-6-5-8(2)7-10/h6,8H,4-5,7H2,1-3H3/b11-9+
InChIKeyPKBVXDSDKZGGCQ-PKNBQFBNSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds2

About N-(4-methylcyclopenten-1-yl)butan-2-imine

N-(4-methylcyclopenten-1-yl)butan-2-imine (PubChem CID 163870138) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(4-methylcyclopenten-1-yl)butan-2-imine.

Molecular Properties

Compound NameN-(4-methylcyclopenten-1-yl)butan-2-imine
PubChem CID163870138
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(4-methylcyclopenten-1-yl)butan-2-imine
SMILESCC/C(C)=N/C1=CCC(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)11-10-6-5-8(2)7-10/h6,8H,4-5,7H2,1-3H3/b11-9+
InChIKeyPKBVXDSDKZGGCQ-PKNBQFBNSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
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-(4-methylcyclopenten-1-yl)butan-2-imine?
The IUPAC name of N-(4-methylcyclopenten-1-yl)butan-2-imine (CID 163870138) is N-(4-methylcyclopenten-1-yl)butan-2-imine.
What is the SMILES notation for N-(4-methylcyclopenten-1-yl)butan-2-imine?
The canonical SMILES for N-(4-methylcyclopenten-1-yl)butan-2-imine is CC/C(C)=N/C1=CCC(C)C1.
What is the InChIKey of N-(4-methylcyclopenten-1-yl)butan-2-imine?
The InChIKey is PKBVXDSDKZGGCQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(3)11-10-6-5-8(2)7-10/h6,8H,4-5,7H2,1-3H3/b11-9+.
What are the key properties of N-(4-methylcyclopenten-1-yl)butan-2-imine?
N-(4-methylcyclopenten-1-yl)butan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclopenten-1-yl)butan-2-imine is sourced from PubChem (CID 163870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).