N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine

C15H28N2 — CID 142112871

IUPACN-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine
SMILESCCC=C/C=C\C(C)CN1CCC(NC)CC1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-14(2)13-17-11-9-15(16-3)10-12-17/h5-8,14-16H,4,9-13H2,1-3H3/b6-5?,8-7-
InChIKeyWYIDCSLLAJQNBS-DTYAYTLWSA-N
MW236.40 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine

N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine (PubChem CID 142112871) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine
PubChem CID142112871
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine
SMILESCCC=C/C=C\C(C)CN1CCC(NC)CC1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-14(2)13-17-11-9-15(16-3)10-12-17/h5-8,14-16H,4,9-13H2,1-3H3/b6-5?,8-7-
InChIKeyWYIDCSLLAJQNBS-DTYAYTLWSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine (CID 142112871) is N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine is CCC=C/C=C\C(C)CN1CCC(NC)CC1.
What is the InChIKey of N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine?
The InChIKey is WYIDCSLLAJQNBS-DTYAYTLWSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-7-8-14(2)13-17-11-9-15(16-3)10-12-17/h5-8,14-16H,4,9-13H2,1-3H3/b6-5?,8-7-.
What are the key properties of N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine?
N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine has a molecular weight of 236.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine is sourced from PubChem (CID 142112871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).