1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine

C13H25N — CID 170059039

IUPAC1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine
SMILES[H]/N=C(\C)C1CC(C)(C)CC1CC(C)C
InChIInChI=1S/C13H25N/c1-9(2)6-11-7-13(4,5)8-12(11)10(3)14/h9,11-12,14H,6-8H2,1-5H3/b14-10+
InChIKeyLAFVGLWIZXTZST-GXDHUFHOSA-N
MW195.35 g/mol
LogP4.12
Rot. Bonds3

About 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine

1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine (PubChem CID 170059039) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine
PubChem CID170059039
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine
SMILES[H]/N=C(\C)C1CC(C)(C)CC1CC(C)C
InChIInChI=1S/C13H25N/c1-9(2)6-11-7-13(4,5)8-12(11)10(3)14/h9,11-12,14H,6-8H2,1-5H3/b14-10+
InChIKeyLAFVGLWIZXTZST-GXDHUFHOSA-N
XLogP4.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.12
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

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-imine
CID 3922441
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one imine hydrochloride
CID 12285108
(s)Camphor imine
CID 129681601
(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine
CID 134858330
[(3R)-2,2,3-trimethylcyclopentylidene]azanide
CID 135012154
(3R)-2,2,3-trimethylcyclopentan-1-imine
CID 135012155
CID 135012220
CID 135012220
(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
CID 135039118
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 1534836
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 56617387
(1S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine
CID 68360433
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanylidene)azanium chloride
CID 72819498

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine?
The IUPAC name of 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine (CID 170059039) is 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine.
What is the SMILES notation for 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine?
The canonical SMILES for 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine is [H]/N=C(\C)C1CC(C)(C)CC1CC(C)C.
What is the InChIKey of 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine?
The InChIKey is LAFVGLWIZXTZST-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)6-11-7-13(4,5)8-12(11)10(3)14/h9,11-12,14H,6-8H2,1-5H3/b14-10+.
What are the key properties of 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine?
1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine has a molecular weight of 195.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-(2-methylpropyl)cyclopentyl]ethanimine is sourced from PubChem (CID 170059039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).