(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine

C10H18N2 — CID 144740230

IUPAC(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)C1CCNCC1
InChIInChI=1S/C10H18N2/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9,12H,1,3-6,11H2,2H3/b10-7-
InChIKeyGHXQLUGPZWSADK-YFHOEESVSA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds2

About (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine

(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine (PubChem CID 144740230) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine
PubChem CID144740230
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(\N)C1CCNCC1
InChIInChI=1S/C10H18N2/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9,12H,1,3-6,11H2,2H3/b10-7-
InChIKeyGHXQLUGPZWSADK-YFHOEESVSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine (CID 144740230) is (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine is C=C(C)/C=C(\N)C1CCNCC1.
What is the InChIKey of (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is GHXQLUGPZWSADK-YFHOEESVSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9,12H,1,3-6,11H2,2H3/b10-7-.
What are the key properties of (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine?
(1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-1-piperidin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 144740230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).