N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine

C12H21NO — CID 103272992

IUPACN-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine
SMILESC=CCOC1(CCNC2CC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-10-14-12(6-3-7-12)8-9-13-11-4-5-11/h2,11,13H,1,3-10H2
InChIKeyHHJHKMOKPGTGIP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds7

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

N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine (PubChem CID 103272992) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine
PubChem CID103272992
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine
SMILESC=CCOC1(CCNC2CC2)CCC1
InChIInChI=1S/C12H21NO/c1-2-10-14-12(6-3-7-12)8-9-13-11-4-5-11/h2,11,13H,1,3-10H2
InChIKeyHHJHKMOKPGTGIP-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine (CID 103272992) is N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine is C=CCOC1(CCNC2CC2)CCC1.
What is the InChIKey of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine?
The InChIKey is HHJHKMOKPGTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-10-14-12(6-3-7-12)8-9-13-11-4-5-11/h2,11,13H,1,3-10H2.
What are the key properties of N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine?
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]cyclopropanamine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 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]cyclopropanamine is sourced from PubChem (CID 103272992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).