(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine

C12H22N2 — CID 89336808

IUPAC(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine
SMILESC=C(/C=C(/C)N)N1CC(C)CC(C)C1
InChIInChI=1S/C12H22N2/c1-9-5-10(2)8-14(7-9)12(4)6-11(3)13/h6,9-10H,4-5,7-8,13H2,1-3H3/b11-6-
InChIKeyKKQKCNPPNJBCQC-WDZFZDKYSA-N
MW194.32 g/mol
LogP2.34
Rot. Bonds2

About (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine

(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine (PubChem CID 89336808) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine
PubChem CID89336808
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine
SMILESC=C(/C=C(/C)N)N1CC(C)CC(C)C1
InChIInChI=1S/C12H22N2/c1-9-5-10(2)8-14(7-9)12(4)6-11(3)13/h6,9-10H,4-5,7-8,13H2,1-3H3/b11-6-
InChIKeyKKQKCNPPNJBCQC-WDZFZDKYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.34
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 (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine (CID 89336808) is (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine is C=C(/C=C(/C)N)N1CC(C)CC(C)C1.
What is the InChIKey of (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine?
The InChIKey is KKQKCNPPNJBCQC-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-5-10(2)8-14(7-9)12(4)6-11(3)13/h6,9-10H,4-5,7-8,13H2,1-3H3/b11-6-.
What are the key properties of (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine?
(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine is sourced from PubChem (CID 89336808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).