4-methyl-1-prop-1-en-2-ylpiperidin-3-amine

C9H18N2 — CID 123215738

IUPAC4-methyl-1-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)N1CCC(C)C(N)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6,10H2,2-3H3
InChIKeyOBULKRROPGSYDZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.19
Rot. Bonds1

About 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine

4-methyl-1-prop-1-en-2-ylpiperidin-3-amine (PubChem CID 123215738) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-prop-1-en-2-ylpiperidin-3-amine
PubChem CID123215738
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-methyl-1-prop-1-en-2-ylpiperidin-3-amine
SMILESC=C(C)N1CCC(C)C(N)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6,10H2,2-3H3
InChIKeyOBULKRROPGSYDZ-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine?
The IUPAC name of 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine (CID 123215738) is 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine.
What is the SMILES notation for 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine?
The canonical SMILES for 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine is C=C(C)N1CCC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine?
The InChIKey is OBULKRROPGSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6,10H2,2-3H3.
What are the key properties of 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine?
4-methyl-1-prop-1-en-2-ylpiperidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-1-en-2-ylpiperidin-3-amine is sourced from PubChem (CID 123215738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).