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

C15H29NO — CID 103074560

IUPACN-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCCCC
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-11-17-13-14(2)12-16-15-9-10-15/h15-16H,2-13H2,1H3
InChIKeyQUMLSGZZZGMTBV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds12

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

N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074560) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074560
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCCCC
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-11-17-13-14(2)12-16-15-9-10-15/h15-16H,2-13H2,1H3
InChIKeyQUMLSGZZZGMTBV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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

2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-[2-(2-Methylprop-2-enoxy)ethyl]azepane
CID 84051757
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074403
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074503
N-tert-butyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074504
2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
CID 103074505
N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074507

Frequently Asked Questions

What is the IUPAC name of N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074560) is N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCCCCCCC.
What is the InChIKey of N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is QUMLSGZZZGMTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-6-7-8-11-17-13-14(2)12-16-15-9-10-15/h15-16H,2-13H2,1H3.
What are the key properties of N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).