3,5-dimethyl-2-methylidenecyclopentan-1-imine

C8H13N — CID 91175528

IUPAC3,5-dimethyl-2-methylidenecyclopentan-1-imine
SMILES[H]/N=C1/C(=C)C(C)CC1C
InChIInChI=1S/C8H13N/c1-5-4-6(2)8(9)7(5)3/h5-6,9H,3-4H2,1-2H3/b9-8+
InChIKeyLOVUUXRZEBNFMI-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.24
Rot. Bonds

About 3,5-dimethyl-2-methylidenecyclopentan-1-imine

3,5-dimethyl-2-methylidenecyclopentan-1-imine (PubChem CID 91175528) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylidenecyclopentan-1-imine.

Molecular Properties

Compound Name3,5-dimethyl-2-methylidenecyclopentan-1-imine
PubChem CID91175528
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,5-dimethyl-2-methylidenecyclopentan-1-imine
SMILES[H]/N=C1/C(=C)C(C)CC1C
InChIInChI=1S/C8H13N/c1-5-4-6(2)8(9)7(5)3/h5-6,9H,3-4H2,1-2H3/b9-8+
InChIKeyLOVUUXRZEBNFMI-CMDGGOBGSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethylpent-1-en-3-imine
CID 91148130
2,5-Dimethylhept-1-en-3-imine
CID 91222633
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
5-Methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
CID 123641515
3,5-Dimethylhex-5-en-2-imine
CID 147395986
(4R)-6-iodo-4-methyl-3-methylidenehexan-2-imine
CID 156050903
2,4-Dimethyl-5-methylidenehept-1-en-3-imine
CID 156107978
2,4-Dimethylhept-1-en-3-imine
CID 156242704
2,4-Dimethylpent-1-en-3-imine;ethane
CID 156721750
3-Ethyl-4-methylpent-4-en-2-imine
CID 163849932
2-Ethyl-3-methylidenecyclopentan-1-imine
CID 163960541
4,4-Dimethyl-2,3-dimethylidenecyclopentan-1-imine
CID 169998844

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylidenecyclopentan-1-imine?
The IUPAC name of 3,5-dimethyl-2-methylidenecyclopentan-1-imine (CID 91175528) is 3,5-dimethyl-2-methylidenecyclopentan-1-imine.
What is the SMILES notation for 3,5-dimethyl-2-methylidenecyclopentan-1-imine?
The canonical SMILES for 3,5-dimethyl-2-methylidenecyclopentan-1-imine is [H]/N=C1/C(=C)C(C)CC1C.
What is the InChIKey of 3,5-dimethyl-2-methylidenecyclopentan-1-imine?
The InChIKey is LOVUUXRZEBNFMI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-5-4-6(2)8(9)7(5)3/h5-6,9H,3-4H2,1-2H3/b9-8+.
What are the key properties of 3,5-dimethyl-2-methylidenecyclopentan-1-imine?
3,5-dimethyl-2-methylidenecyclopentan-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylidenecyclopentan-1-imine is sourced from PubChem (CID 91175528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).