1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine

C15H24N2 — CID 87152342

IUPAC1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
SMILESC=C(C)/C=C\C(=C)C(=C)NC1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-12(2)6-7-13(3)14(4)16-15-8-10-17(5)11-9-15/h6-7,15-16H,1,3-4,8-11H2,2,5H3/b7-6-
InChIKeyLCOLFSBTNMWOKF-SREVYHEPSA-N
MW232.37 g/mol
LogP2.87
Rot. Bonds5

About 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine

1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine (PubChem CID 87152342) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
PubChem CID87152342
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
SMILESC=C(C)/C=C\C(=C)C(=C)NC1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-12(2)6-7-13(3)14(4)16-15-8-10-17(5)11-9-15/h6-7,15-16H,1,3-4,8-11H2,2,5H3/b7-6-
InChIKeyLCOLFSBTNMWOKF-SREVYHEPSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.87
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 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine (CID 87152342) is 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine is C=C(C)/C=C\C(=C)C(=C)NC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine?
The InChIKey is LCOLFSBTNMWOKF-SREVYHEPSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)6-7-13(3)14(4)16-15-8-10-17(5)11-9-15/h6-7,15-16H,1,3-4,8-11H2,2,5H3/b7-6-.
What are the key properties of 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine?
1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine is sourced from PubChem (CID 87152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).