N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine

C13H26N2 — CID 134394521

IUPACN-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)C1CCC(N(C)CC(C)C)CN1
InChIInChI=1S/C13H26N2/c1-10(2)9-15(5)12-6-7-13(11(3)4)14-8-12/h10,12-14H,3,6-9H2,1-2,4-5H3
InChIKeyZRJOJTGICCSASF-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine

N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine (PubChem CID 134394521) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine
PubChem CID134394521
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)C1CCC(N(C)CC(C)C)CN1
InChIInChI=1S/C13H26N2/c1-10(2)9-15(5)12-6-7-13(11(3)4)14-8-12/h10,12-14H,3,6-9H2,1-2,4-5H3
InChIKeyZRJOJTGICCSASF-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
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 N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine (CID 134394521) is N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine is C=C(C)C1CCC(N(C)CC(C)C)CN1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine?
The InChIKey is ZRJOJTGICCSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)9-15(5)12-6-7-13(11(3)4)14-8-12/h10,12-14H,3,6-9H2,1-2,4-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine?
N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine is sourced from PubChem (CID 134394521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).