N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine

C15H26N2 — CID 162389238

IUPACN-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine
SMILESC=C/C=C(\C)N(C)C1CC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-4-8-13(2)16(3)14-11-15(12-14)17-9-6-5-7-10-17/h4,8,14-15H,1,5-7,9-12H2,2-3H3/b13-8+
InChIKeyZKOMZZSQMQUZLO-MDWZMJQESA-N
MW234.39 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine

N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine (PubChem CID 162389238) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine
PubChem CID162389238
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine
SMILESC=C/C=C(\C)N(C)C1CC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-4-8-13(2)16(3)14-11-15(12-14)17-9-6-5-7-10-17/h4,8,14-15H,1,5-7,9-12H2,2-3H3/b13-8+
InChIKeyZKOMZZSQMQUZLO-MDWZMJQESA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine?
The IUPAC name of N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine (CID 162389238) is N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine?
The canonical SMILES for N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine is C=C/C=C(\C)N(C)C1CC(N2CCCCC2)C1.
What is the InChIKey of N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine?
The InChIKey is ZKOMZZSQMQUZLO-MDWZMJQESA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-13(2)16(3)14-11-15(12-14)17-9-6-5-7-10-17/h4,8,14-15H,1,5-7,9-12H2,2-3H3/b13-8+.
What are the key properties of N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine?
N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2E)-penta-2,4-dien-2-yl]-3-piperidin-1-ylcyclobutan-1-amine is sourced from PubChem (CID 162389238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).