(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine

C10H20N2 — CID 66047503

IUPAC(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCN(C/C=C/CN)CC1
InChIInChI=1S/C10H20N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3/b3-2+
InChIKeyUCTJEGZBIMETFH-NSCUHMNNSA-N
MW168.28 g/mol
LogP1.23
Rot. Bonds3

About (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine

(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine (PubChem CID 66047503) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
PubChem CID66047503
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCN(C/C=C/CN)CC1
InChIInChI=1S/C10H20N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3/b3-2+
InChIKeyUCTJEGZBIMETFH-NSCUHMNNSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-methylpiperidin-1-yl)but-2-enenitrile
CID 131236974
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
4-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-amine
CID 77110546
2-methyl-4-(4-methylpiperidin-1-yl)but-2-enoic acid
CID 77074835
4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110579
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)but-2-en-1-amine
CID 77135900
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-ethyl-4-(4-methylpiperidin-1-yl)but-2-enoic acid
CID 77101855
4-(1,4-thiazepan-4-yl)but-2-en-1-amine
CID 77110829
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
CID 62064120

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine (CID 66047503) is (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine is CC1CCN(C/C=C/CN)CC1.
What is the InChIKey of (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine?
The InChIKey is UCTJEGZBIMETFH-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H20N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3/b3-2+.
What are the key properties of (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine?
(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 66047503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).