N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine

C12H23NO — CID 103272993

IUPACN-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
SMILESC=CCOC1(CCNC(C)C)CCC1
InChIInChI=1S/C12H23NO/c1-4-10-14-12(6-5-7-12)8-9-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUOJJZMOVDOIEPE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine

N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine (PubChem CID 103272993) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
PubChem CID103272993
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
SMILESC=CCOC1(CCNC(C)C)CCC1
InChIInChI=1S/C12H23NO/c1-4-10-14-12(6-5-7-12)8-9-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUOJJZMOVDOIEPE-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine (CID 103272993) is N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine is C=CCOC1(CCNC(C)C)CCC1.
What is the InChIKey of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine?
The InChIKey is UOJJZMOVDOIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10-14-12(6-5-7-12)8-9-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine?
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine is sourced from PubChem (CID 103272993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).