2-ethyl-4-methylcyclopentan-1-imine

C8H15N — CID 123687454

IUPAC2-ethyl-4-methylcyclopentan-1-imine
SMILES[H]/N=C1\CC(C)CC1CC
InChIInChI=1S/C8H15N/c1-3-7-4-6(2)5-8(7)9/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyMWHSIWUBQUKQDX-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.46
Rot. Bonds1

About 2-ethyl-4-methylcyclopentan-1-imine

2-ethyl-4-methylcyclopentan-1-imine (PubChem CID 123687454) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-ethyl-4-methylcyclopentan-1-imine.

Molecular Properties

Compound Name2-ethyl-4-methylcyclopentan-1-imine
PubChem CID123687454
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-ethyl-4-methylcyclopentan-1-imine
SMILES[H]/N=C1\CC(C)CC1CC
InChIInChI=1S/C8H15N/c1-3-7-4-6(2)5-8(7)9/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyMWHSIWUBQUKQDX-CMDGGOBGSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.46
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

2,6-Dimethylheptan-4-imine
CID 333868
(3R)-2,2,3-trimethylcyclopentan-1-imine
CID 135012155
2-Methylcyclopentan-1-imine
CID 10240765
1-Cyclopentylethanimine
CID 18727540
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489
(2R)-2-methylcyclopentan-1-imine
CID 54134459
2-Methylheptan-3-imine
CID 57849026
5,7-Diethylundecan-6-imine
CID 87156941
1-Cyclopentylbutan-1-imine
CID 89059150
1-Cyclopentyl-3,3-dimethylbutan-1-imine
CID 89059195
2,2,3-Trimethylcyclopentan-1-imine
CID 89248994
4,6-Dimethylnonan-5-imine
CID 89612601

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylcyclopentan-1-imine?
The IUPAC name of 2-ethyl-4-methylcyclopentan-1-imine (CID 123687454) is 2-ethyl-4-methylcyclopentan-1-imine.
What is the SMILES notation for 2-ethyl-4-methylcyclopentan-1-imine?
The canonical SMILES for 2-ethyl-4-methylcyclopentan-1-imine is [H]/N=C1\CC(C)CC1CC.
What is the InChIKey of 2-ethyl-4-methylcyclopentan-1-imine?
The InChIKey is MWHSIWUBQUKQDX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7-4-6(2)5-8(7)9/h6-7,9H,3-5H2,1-2H3/b9-8+.
What are the key properties of 2-ethyl-4-methylcyclopentan-1-imine?
2-ethyl-4-methylcyclopentan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylcyclopentan-1-imine is sourced from PubChem (CID 123687454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).