3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine

C15H28N2 — CID 79186075

IUPAC3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-13(2)12-14(16)15(8-4-5-9-15)17-10-6-3-7-11-17/h14H,1,3-12,16H2,2H3
InChIKeyRCFJQFFOFVRSGQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.08
Rot. Bonds4

About 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine

3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine (PubChem CID 79186075) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine
PubChem CID79186075
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine
SMILESC=C(C)CC(N)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-13(2)12-14(16)15(8-4-5-9-15)17-10-6-3-7-11-17/h14H,1,3-12,16H2,2H3
InChIKeyRCFJQFFOFVRSGQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine?
The IUPAC name of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine (CID 79186075) is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine is C=C(C)CC(N)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine?
The InChIKey is RCFJQFFOFVRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)12-14(16)15(8-4-5-9-15)17-10-6-3-7-11-17/h14H,1,3-12,16H2,2H3.
What are the key properties of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine?
3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-amine is sourced from PubChem (CID 79186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).