N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine

C15H27NO — CID 113362691

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCC2=CCCC2)CCO1
InChIInChI=1S/C15H27NO/c1-2-5-15-12-14(9-11-17-15)16-10-8-13-6-3-4-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyWNDKZDOTPSLBRK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine (PubChem CID 113362691) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine
PubChem CID113362691
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCC2=CCCC2)CCO1
InChIInChI=1S/C15H27NO/c1-2-5-15-12-14(9-11-17-15)16-10-8-13-6-3-4-7-13/h6,14-16H,2-5,7-12H2,1H3
InChIKeyWNDKZDOTPSLBRK-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
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 N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine (CID 113362691) is N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCC2=CCCC2)CCO1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine?
The InChIKey is WNDKZDOTPSLBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-5-15-12-14(9-11-17-15)16-10-8-13-6-3-4-7-13/h6,14-16H,2-5,7-12H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 113362691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).