N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

C14H26N2O — CID 103069929

IUPACN-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCCC(OCC)C1
InChIInChI=1S/C14H26N2O/c1-3-17-14-5-4-8-16(11-14)10-12(2)9-15-13-6-7-13/h13-15H,2-11H2,1H3
InChIKeyMFLDLAFGNAABOM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103069929) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103069929
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCCC(OCC)C1
InChIInChI=1S/C14H26N2O/c1-3-17-14-5-4-8-16(11-14)10-12(2)9-15-13-6-7-13/h13-15H,2-11H2,1H3
InChIKeyMFLDLAFGNAABOM-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
CID 103071389
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
CID 103071117
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827430
2-(cyclopropylamino)-5-(3-ethoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 64827238
2-(cyclopropylamino)-4-(3-ethoxypiperidin-1-yl)butanamide
CID 63053798
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62558124

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103069929) is N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCCC(OCC)C1.
What is the InChIKey of N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is MFLDLAFGNAABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-17-14-5-4-8-16(11-14)10-12(2)9-15-13-6-7-13/h13-15H,2-11H2,1H3.
What are the key properties of N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103069929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).