N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine

C15H30N2O — CID 103071485

IUPACN-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(C)C(OC)C1
InChIInChI=1S/C15H30N2O/c1-12(9-16-15(3,4)5)10-17-8-7-13(2)14(11-17)18-6/h13-14,16H,1,7-11H2,2-6H3
InChIKeyPNGPVEUVCJLNJL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds5

About N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103071485) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103071485
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(C)C(OC)C1
InChIInChI=1S/C15H30N2O/c1-12(9-16-15(3,4)5)10-17-8-7-13(2)14(11-17)18-6/h13-14,16H,1,7-11H2,2-6H3
InChIKeyPNGPVEUVCJLNJL-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
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-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071243
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070541
N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069411
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
CID 102966377
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylpyrrolidin-2-one
CID 103072380
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine (CID 103071485) is N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCC(C)C(OC)C1.
What is the InChIKey of N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is PNGPVEUVCJLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(9-16-15(3,4)5)10-17-8-7-13(2)14(11-17)18-6/h13-14,16H,1,7-11H2,2-6H3.
What are the key properties of N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).