N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine

C14H24N2 — CID 123348092

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine
SMILESC=CC=C(C=C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-5-7-14(6-2)16(4)12-13-8-10-15(3)11-9-13/h5-7,13H,1-2,8-12H2,3-4H3
InChIKeyYSEKHJHZWOKZPX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine (PubChem CID 123348092) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine
PubChem CID123348092
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine
SMILESC=CC=C(C=C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H24N2/c1-5-7-14(6-2)16(4)12-13-8-10-15(3)11-9-13/h5-7,13H,1-2,8-12H2,3-4H3
InChIKeyYSEKHJHZWOKZPX-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.52
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-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine (CID 123348092) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine is C=CC=C(C=C)N(C)CC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine?
The InChIKey is YSEKHJHZWOKZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-14(6-2)16(4)12-13-8-10-15(3)11-9-13/h5-7,13H,1-2,8-12H2,3-4H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 123348092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).