N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine

C13H25NO — CID 103074553

IUPACN-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCC
InChIInChI=1S/C13H25NO/c1-3-4-5-6-9-15-11-12(2)10-14-13-7-8-13/h13-14H,2-11H2,1H3
InChIKeyLLLFFWOOEMQAJC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds10

About N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074553) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074553
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCC
InChIInChI=1S/C13H25NO/c1-3-4-5-6-9-15-11-12(2)10-14-13-7-8-13/h13-14H,2-11H2,1H3
InChIKeyLLLFFWOOEMQAJC-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
2-[2-(2-Methylprop-2-enoxy)ethyl]pyrrolidine
CID 84050137
N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074316
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074330
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-[2-(methoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074357
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074553) is N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCCCCC.
What is the InChIKey of N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is LLLFFWOOEMQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-9-15-11-12(2)10-14-13-7-8-13/h13-14H,2-11H2,1H3.
What are the key properties of N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).