3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine

C13H23N — CID 139481882

IUPAC3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine
SMILESC=CC(C)CC(C)/N=C1\CCC(C)C1
InChIInChI=1S/C13H23N/c1-5-10(2)8-12(4)14-13-7-6-11(3)9-13/h5,10-12H,1,6-9H2,2-4H3/b14-13+
InChIKeyDNNRSHAOMYDCEJ-BUHFOSPRSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds4

About 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine

3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine (PubChem CID 139481882) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine.

Molecular Properties

Compound Name3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine
PubChem CID139481882
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine
SMILESC=CC(C)CC(C)/N=C1\CCC(C)C1
InChIInChI=1S/C13H23N/c1-5-10(2)8-12(4)14-13-7-6-11(3)9-13/h5,10-12H,1,6-9H2,2-4H3/b14-13+
InChIKeyDNNRSHAOMYDCEJ-BUHFOSPRSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
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 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine?
The IUPAC name of 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine (CID 139481882) is 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine.
What is the SMILES notation for 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine?
The canonical SMILES for 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine is C=CC(C)CC(C)/N=C1\CCC(C)C1.
What is the InChIKey of 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine?
The InChIKey is DNNRSHAOMYDCEJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N/c1-5-10(2)8-12(4)14-13-7-6-11(3)9-13/h5,10-12H,1,6-9H2,2-4H3/b14-13+.
What are the key properties of 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine?
3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylhex-5-en-2-yl)cyclopentan-1-imine is sourced from PubChem (CID 139481882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).