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

C9H17NO — CID 103074364

IUPACN-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC
InChIInChI=1S/C9H17NO/c1-3-11-7-8(2)6-10-9-4-5-9/h9-10H,2-7H2,1H3
InChIKeyHSOVXJHYJRRSJU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds6

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

N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074364) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074364
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC
InChIInChI=1S/C9H17NO/c1-3-11-7-8(2)6-10-9-4-5-9/h9-10H,2-7H2,1H3
InChIKeyHSOVXJHYJRRSJU-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074343
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-[2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074496
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-[2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074929
N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075026
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028
N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075040
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
N-[2-(3,3,3-trifluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075054
N-propan-2-yl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075056

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074364) is N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCC.
What is the InChIKey of N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is HSOVXJHYJRRSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-7-8(2)6-10-9-4-5-9/h9-10H,2-7H2,1H3.
What are the key properties of N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(ethoxymethyl)prop-2-enyl]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-(ethoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).