N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine

C9H17NO — CID 103439387

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine
SMILESC=C(C)COCCNC1CC1
InChIInChI=1S/C9H17NO/c1-8(2)7-11-6-5-10-9-3-4-9/h9-10H,1,3-7H2,2H3
InChIKeyQMTIGLMGIXHVRP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine

N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine (PubChem CID 103439387) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine
PubChem CID103439387
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine
SMILESC=C(C)COCCNC1CC1
InChIInChI=1S/C9H17NO/c1-8(2)7-11-6-5-10-9-3-4-9/h9-10H,1,3-7H2,2H3
InChIKeyQMTIGLMGIXHVRP-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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

1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-[3-(2-propoxyethoxy)prop-1-en-2-yl]cyclopropanamine
CID 124188935
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
CID 146259276
N-methyl-1-[(E)-2-methylbut-2-enoxy]propan-2-amine
CID 173799606
N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 62331544
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine (CID 103439387) is N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine is C=C(C)COCCNC1CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine?
The InChIKey is QMTIGLMGIXHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-11-6-5-10-9-3-4-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 103439387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).