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

C10H17NO — CID 103074316

IUPACN-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=CCOCC(=C)CNC1CC1
InChIInChI=1S/C10H17NO/c1-3-6-12-8-9(2)7-11-10-4-5-10/h3,10-11H,1-2,4-8H2
InChIKeyXHFZOKBIEYNODZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds7

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

N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074316) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074316
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=CCOCC(=C)CNC1CC1
InChIInChI=1S/C10H17NO/c1-3-6-12-8-9(2)7-11-10-4-5-10/h3,10-11H,1-2,4-8H2
InChIKeyXHFZOKBIEYNODZ-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
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-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074343
N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075026
N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075040
N-[2-(3,3,3-trifluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075054
N-propan-2-yl-3-prop-2-enoxypropan-1-amine
CID 62342799
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine
CID 62440463
N-(4-prop-2-enoxybutyl)cyclopropanamine
CID 62442083
N-(3-prop-2-enoxypropyl)cyclopropanamine
CID 62442635
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074316) is N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine is C=CCOCC(=C)CNC1CC1.
What is the InChIKey of N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is XHFZOKBIEYNODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-12-8-9(2)7-11-10-4-5-10/h3,10-11H,1-2,4-8H2.
What are the key properties of N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 167.25 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).