4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine

C13H25N — CID 134462344

IUPAC4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine
SMILESCC1=C(C(CCN)C(C)C)C1C(C)C
InChIInChI=1S/C13H25N/c1-8(2)11(6-7-14)13-10(5)12(13)9(3)4/h8-9,11-12H,6-7,14H2,1-5H3
InChIKeyFPIRUYNXCADZJM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.21
Rot. Bonds5

About 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine

4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine (PubChem CID 134462344) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine
PubChem CID134462344
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine
SMILESCC1=C(C(CCN)C(C)C)C1C(C)C
InChIInChI=1S/C13H25N/c1-8(2)11(6-7-14)13-10(5)12(13)9(3)4/h8-9,11-12H,6-7,14H2,1-5H3
InChIKeyFPIRUYNXCADZJM-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine?
The IUPAC name of 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine (CID 134462344) is 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine is CC1=C(C(CCN)C(C)C)C1C(C)C.
What is the InChIKey of 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine?
The InChIKey is FPIRUYNXCADZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)11(6-7-14)13-10(5)12(13)9(3)4/h8-9,11-12H,6-7,14H2,1-5H3.
What are the key properties of 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine?
4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine is sourced from PubChem (CID 134462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).