(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine

C11H22N2 — CID 143024168

IUPAC(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine
SMILESC/C=C\CNC[C@@H]1CCCCN1C
InChIInChI=1S/C11H22N2/c1-3-4-8-12-10-11-7-5-6-9-13(11)2/h3-4,11-12H,5-10H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyUREYDZGFQCXZDF-BYCRGOAPSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine

(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine (PubChem CID 143024168) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine
PubChem CID143024168
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine
SMILESC/C=C\CNC[C@@H]1CCCCN1C
InChIInChI=1S/C11H22N2/c1-3-4-8-12-10-11-7-5-6-9-13(11)2/h3-4,11-12H,5-10H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyUREYDZGFQCXZDF-BYCRGOAPSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine?
The IUPAC name of (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine (CID 143024168) is (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine?
The canonical SMILES for (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine is C/C=C\CNC[C@@H]1CCCCN1C.
What is the InChIKey of (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine?
The InChIKey is UREYDZGFQCXZDF-BYCRGOAPSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-8-12-10-11-7-5-6-9-13(11)2/h3-4,11-12H,5-10H2,1-2H3/b4-3-/t11-/m0/s1.
What are the key properties of (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine?
(Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]but-2-en-1-amine is sourced from PubChem (CID 143024168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).