1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride

C13H26ClN — CID 3073285

IUPAC1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride
SMILESCCCC(N)CC1=C(C)C(C)(C)CC1.Cl
InChIInChI=1S/C13H25N.ClH/c1-5-6-12(14)9-11-7-8-13(3,4)10(11)2;/h12H,5-9,14H2,1-4H3;1H
InChIKeyPTKFPIDSTWZZKF-UHFFFAOYSA-N
MW231.81 g/mol
LogP4.06
Rot. Bonds4

About 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride

1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride (PubChem CID 3073285) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride
PubChem CID3073285
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride
SMILESCCCC(N)CC1=C(C)C(C)(C)CC1.Cl
InChIInChI=1S/C13H25N.ClH/c1-5-6-12(14)9-11-7-8-13(3,4)10(11)2;/h12H,5-9,14H2,1-4H3;1H
InChIKeyPTKFPIDSTWZZKF-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 54.06
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 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride?
The IUPAC name of 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride (CID 3073285) is 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride is CCCC(N)CC1=C(C)C(C)(C)CC1.Cl.
What is the InChIKey of 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride?
The InChIKey is PTKFPIDSTWZZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.ClH/c1-5-6-12(14)9-11-7-8-13(3,4)10(11)2;/h12H,5-9,14H2,1-4H3;1H.
What are the key properties of 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride?
1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride has a molecular weight of 231.81 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylcyclopenten-1-yl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 3073285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).