methylcyclopentane;(E)-3-methylpent-3-en-2-imine

C12H23N — CID 144805325

IUPACmethylcyclopentane;(E)-3-methylpent-3-en-2-imine
SMILESCC1CCCC1.[H]/N=C(C)/C(C)=C/C
InChIInChI=1S/C6H11N.C6H12/c1-4-5(2)6(3)7;1-6-4-2-3-5-6/h4,7H,1-3H3;6H,2-5H2,1H3/b5-4+,7-6+;
InChIKeySSRQGGVLDQOTNQ-QDGXTOJKSA-N
MW181.32 g/mol
LogP4.19
Rot. Bonds1

About methylcyclopentane;(E)-3-methylpent-3-en-2-imine

methylcyclopentane;(E)-3-methylpent-3-en-2-imine (PubChem CID 144805325) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is methylcyclopentane;(E)-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Namemethylcyclopentane;(E)-3-methylpent-3-en-2-imine
PubChem CID144805325
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namemethylcyclopentane;(E)-3-methylpent-3-en-2-imine
SMILESCC1CCCC1.[H]/N=C(C)/C(C)=C/C
InChIInChI=1S/C6H11N.C6H12/c1-4-5(2)6(3)7;1-6-4-2-3-5-6/h4,7H,1-3H3;6H,2-5H2,1H3/b5-4+,7-6+;
InChIKeySSRQGGVLDQOTNQ-QDGXTOJKSA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
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 methylcyclopentane;(E)-3-methylpent-3-en-2-imine?
The IUPAC name of methylcyclopentane;(E)-3-methylpent-3-en-2-imine (CID 144805325) is methylcyclopentane;(E)-3-methylpent-3-en-2-imine.
What is the SMILES notation for methylcyclopentane;(E)-3-methylpent-3-en-2-imine?
The canonical SMILES for methylcyclopentane;(E)-3-methylpent-3-en-2-imine is CC1CCCC1.[H]/N=C(C)/C(C)=C/C.
What is the InChIKey of methylcyclopentane;(E)-3-methylpent-3-en-2-imine?
The InChIKey is SSRQGGVLDQOTNQ-QDGXTOJKSA-N. The full InChI is InChI=1S/C6H11N.C6H12/c1-4-5(2)6(3)7;1-6-4-2-3-5-6/h4,7H,1-3H3;6H,2-5H2,1H3/b5-4+,7-6+;.
What are the key properties of methylcyclopentane;(E)-3-methylpent-3-en-2-imine?
methylcyclopentane;(E)-3-methylpent-3-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;(E)-3-methylpent-3-en-2-imine is sourced from PubChem (CID 144805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).