3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine

C13H25N — CID 58718142

IUPAC3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine
SMILESC=C(C(C)C)C1CCC(NC(C)C)C1
InChIInChI=1S/C13H25N/c1-9(2)11(5)12-6-7-13(8-12)14-10(3)4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyARRSSHPGNQFJBY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds4

About 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine

3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine (PubChem CID 58718142) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine
PubChem CID58718142
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine
SMILESC=C(C(C)C)C1CCC(NC(C)C)C1
InChIInChI=1S/C13H25N/c1-9(2)11(5)12-6-7-13(8-12)14-10(3)4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyARRSSHPGNQFJBY-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 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 ≤ 53.37
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 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine (CID 58718142) is 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine is C=C(C(C)C)C1CCC(NC(C)C)C1.
What is the InChIKey of 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is ARRSSHPGNQFJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)11(5)12-6-7-13(8-12)14-10(3)4/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine?
3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 58718142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).