N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine

C13H23NO2 — CID 103074738

IUPACN-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(8-14-13-2-3-13)9-16-10-12-4-6-15-7-5-12/h12-14H,1-10H2
InChIKeyLVSHOUOXERKHOD-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074738) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074738
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(8-14-13-2-3-13)9-16-10-12-4-6-15-7-5-12/h12-14H,1-10H2
InChIKeyLVSHOUOXERKHOD-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
N-[2-(4-methylpentoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074539
N-[2-(pentoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074634
N-[2-(oxan-4-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074685
N-[2-(oxolan-3-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074692
N-[2-(cyclohexylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074731
N-ethyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
CID 103074737
2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074739
2-(oxan-4-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074740
N-methyl-2-(oxan-4-ylmethoxymethyl)prop-2-en-1-amine
CID 103074742
N-[2-(cyclopentylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074901
N-[2-(2-methylpentoxymethyl)prop-2-enyl]cyclopropanamine
CID 103284478

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074738) is N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is LVSHOUOXERKHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(8-14-13-2-3-13)9-16-10-12-4-6-15-7-5-12/h12-14H,1-10H2.
What are the key properties of N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylmethoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).