2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine

C11H22N2 — CID 62331721

IUPAC2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)8-12-9-11-4-6-13(3)7-5-11/h11-12H,1,4-9H2,2-3H3
InChIKeyPLXIJWAKDKOHDO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds4

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

2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 62331721) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
PubChem CID62331721
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)8-12-9-11-4-6-13(3)7-5-11/h11-12H,1,4-9H2,2-3H3
InChIKeyPLXIJWAKDKOHDO-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine (CID 62331721) is 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine is C=C(C)CNCC1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is PLXIJWAKDKOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)8-12-9-11-4-6-13(3)7-5-11/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine?
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62331721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).