2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine

C13H25N — CID 167106164

IUPAC2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine
SMILESCCC(C)CC1=C(N)CC(C(C)C)C1
InChIInChI=1S/C13H25N/c1-5-10(4)6-12-7-11(9(2)3)8-13(12)14/h9-11H,5-8,14H2,1-4H3
InChIKeyJITVUTRWZBRZOL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine

2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine (PubChem CID 167106164) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine.

Molecular Properties

Compound Name2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine
PubChem CID167106164
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine
SMILESCCC(C)CC1=C(N)CC(C(C)C)C1
InChIInChI=1S/C13H25N/c1-5-10(4)6-12-7-11(9(2)3)8-13(12)14/h9-11H,5-8,14H2,1-4H3
InChIKeyJITVUTRWZBRZOL-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine?
The IUPAC name of 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine (CID 167106164) is 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine.
What is the SMILES notation for 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine?
The canonical SMILES for 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine is CCC(C)CC1=C(N)CC(C(C)C)C1.
What is the InChIKey of 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine?
The InChIKey is JITVUTRWZBRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-10(4)6-12-7-11(9(2)3)8-13(12)14/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine?
2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-4-propan-2-ylcyclopenten-1-amine is sourced from PubChem (CID 167106164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).