(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine

C12H20N2 — CID 142855721

IUPAC(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-10-6-8-14(9-7-10)12(3)5-4-11(2)13/h4-5,10H,2-3,6-9,13H2,1H3/b5-4-
InChIKeySOLBGPYNAFIIQN-PLNGDYQASA-N
MW192.31 g/mol
LogP2.26
Rot. Bonds3

About (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine

(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine (PubChem CID 142855721) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
PubChem CID142855721
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-10-6-8-14(9-7-10)12(3)5-4-11(2)13/h4-5,10H,2-3,6-9,13H2,1H3/b5-4-
InChIKeySOLBGPYNAFIIQN-PLNGDYQASA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.26
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 (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine (CID 142855721) is (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)N1CCC(C)CC1.
What is the InChIKey of (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine?
The InChIKey is SOLBGPYNAFIIQN-PLNGDYQASA-N. The full InChI is InChI=1S/C12H20N2/c1-10-6-8-14(9-7-10)12(3)5-4-11(2)13/h4-5,10H,2-3,6-9,13H2,1H3/b5-4-.
What are the key properties of (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine?
(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142855721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).