2-methyl-4-(2-methylcyclobutyl)pentan-3-imine

C11H21N — CID 123637394

IUPAC2-methyl-4-(2-methylcyclobutyl)pentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)C1CCC1C
InChIInChI=1S/C11H21N/c1-7(2)11(12)9(4)10-6-5-8(10)3/h7-10,12H,5-6H2,1-4H3/b12-11+
InChIKeyJFAPFPOVPJHHMP-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine

2-methyl-4-(2-methylcyclobutyl)pentan-3-imine (PubChem CID 123637394) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine.

Molecular Properties

Compound Name2-methyl-4-(2-methylcyclobutyl)pentan-3-imine
PubChem CID123637394
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-4-(2-methylcyclobutyl)pentan-3-imine
SMILES[H]/N=C(\C(C)C)C(C)C1CCC1C
InChIInChI=1S/C11H21N/c1-7(2)11(12)9(4)10-6-5-8(10)3/h7-10,12H,5-6H2,1-4H3/b12-11+
InChIKeyJFAPFPOVPJHHMP-VAWYXSNFSA-N
XLogP3.34
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.34
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
2,7-Dimethyloctane-4,5-diimine
CID 53784675
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489
2,3,6,7-Tetramethyloctane-4,5-diimine
CID 54545006
2-Isopropyl-5-methylcyclohexanimine
CID 56617767
8,10-Dihexylheptadecan-9-imine
CID 57042993
5-(3-Iminobutyl)decane-2,6-diimine
CID 57178709
9,11-Diethylnonadecan-10-imine
CID 57188736
2,11-Dimethyldodecane-4,9-diimine
CID 57239756
2-Methylheptan-3-imine
CID 57849026
8-Methyl-7-propan-2-ylnonan-2-imine
CID 58164973
2-Nonylcyclohexan-1-imine
CID 70143312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine?
The IUPAC name of 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine (CID 123637394) is 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine.
What is the SMILES notation for 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine?
The canonical SMILES for 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine is [H]/N=C(\C(C)C)C(C)C1CCC1C.
What is the InChIKey of 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine?
The InChIKey is JFAPFPOVPJHHMP-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-7(2)11(12)9(4)10-6-5-8(10)3/h7-10,12H,5-6H2,1-4H3/b12-11+.
What are the key properties of 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine?
2-methyl-4-(2-methylcyclobutyl)pentan-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylcyclobutyl)pentan-3-imine is sourced from PubChem (CID 123637394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).