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

C11H22N2 — CID 107898886

IUPAC(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-3-4-7-12-10-11-5-8-13(2)9-6-11/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyJCDJUMFVSFKJDS-ONEGZZNKSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds4

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

(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine (PubChem CID 107898886) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
PubChem CID107898886
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-3-4-7-12-10-11-5-8-13(2)9-6-11/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyJCDJUMFVSFKJDS-ONEGZZNKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
4-[[[(E)-but-2-enyl]amino]methyl]cyclohexan-1-ol
CID 106132895
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
CID 107898844
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-oxoethyl)urea
CID 117234638
4-[(Z,2Z)-2-ethylidenepent-3-enyl]-1-methylpiperidine
CID 126516806
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
N-methyl-1-(1-methylpiperidin-4-yl)methanamine;molecular hydrogen
CID 142232985

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine (CID 107898886) is (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine is C/C=C/CNCC1CCN(C)CC1.
What is the InChIKey of (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine?
The InChIKey is JCDJUMFVSFKJDS-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-7-12-10-11-5-8-13(2)9-6-11/h3-4,11-12H,5-10H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine?
(E)-N-[(1-methylpiperidin-4-yl)methyl]but-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 (E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine is sourced from PubChem (CID 107898886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).