N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine

C11H22N2 — CID 58450026

IUPACN-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)12-10(3)11-5-7-13(4)8-6-11/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyLMDNPRNWLBYYDE-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine

N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine (PubChem CID 58450026) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine
PubChem CID58450026
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)12-10(3)11-5-7-13(4)8-6-11/h9,11-12H,3,5-8H2,1-2,4H3
InChIKeyLMDNPRNWLBYYDE-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine (CID 58450026) is N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine is C=C(NC(C)C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine?
The InChIKey is LMDNPRNWLBYYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-10(3)11-5-7-13(4)8-6-11/h9,11-12H,3,5-8H2,1-2,4H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine?
N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-2-amine is sourced from PubChem (CID 58450026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).