N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine

C14H28N2O — CID 103069920

IUPACN-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC(OCCC)C1
InChIInChI=1S/C14H28N2O/c1-4-9-17-14-7-6-8-16(12-14)11-13(3)10-15-5-2/h14-15H,3-12H2,1-2H3
InChIKeyQEECRBOBKIPIEV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine

N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103069920) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103069920
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC(OCCC)C1
InChIInChI=1S/C14H28N2O/c1-4-9-17-14-7-6-8-16(12-14)11-13(3)10-15-5-2/h14-15H,3-12H2,1-2H3
InChIKeyQEECRBOBKIPIEV-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-(2-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070608
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
CID 64827022
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine (CID 103069920) is N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNCC)CN1CCCC(OCCC)C1.
What is the InChIKey of N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is QEECRBOBKIPIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-9-17-14-7-6-8-16(12-14)11-13(3)10-15-5-2/h14-15H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine?
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).