N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine

C11H21NO — CID 102641172

IUPACN-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)COCC
InChIInChI=1S/C11H21NO/c1-4-11(3,9-13-5-2)8-12-10-6-7-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIQDRFOIIQWBVCH-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine

N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641172) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641172
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)COCC
InChIInChI=1S/C11H21NO/c1-4-11(3,9-13-5-2)8-12-10-6-7-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIQDRFOIIQWBVCH-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 106931005
N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
CID 102641239
N-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
CID 102641124
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine (CID 102641172) is N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)COCC.
What is the InChIKey of N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is IQDRFOIIQWBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(3,9-13-5-2)8-12-10-6-7-10/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine?
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).