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

C12H20N2 — CID 143501789

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)NC1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12/h4-6,12-13H,1-2,7-10H2,3H3/b11-6+
InChIKeyRRSMKWYDPHKTBE-IZZDOVSWSA-N
MW192.31 g/mol
LogP1.93
Rot. Bonds4

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

N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine (PubChem CID 143501789) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
PubChem CID143501789
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)NC1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12/h4-6,12-13H,1-2,7-10H2,3H3/b11-6+
InChIKeyRRSMKWYDPHKTBE-IZZDOVSWSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.93
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-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine (CID 143501789) is N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine is C=C/C=C(\C=C)NC1CCN(C)CC1.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The InChIKey is RRSMKWYDPHKTBE-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12/h4-6,12-13H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine has a molecular weight of 192.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 143501789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).