(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine

C12H18N2 — CID 155349455

IUPAC(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine
SMILESC=C/C=C1/C=CC(C(C)(C)C)=CN1N
InChIInChI=1S/C12H18N2/c1-5-6-11-8-7-10(9-14(11)13)12(2,3)4/h5-9H,1,13H2,2-4H3/b11-6-
InChIKeyUCBZNRXYBHQHNX-WDZFZDKYSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds1

About (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine

(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine (PubChem CID 155349455) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine.

Molecular Properties

Compound Name(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine
PubChem CID155349455
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine
SMILESC=C/C=C1/C=CC(C(C)(C)C)=CN1N
InChIInChI=1S/C12H18N2/c1-5-6-11-8-7-10(9-14(11)13)12(2,3)4/h5-9H,1,13H2,2-4H3/b11-6-
InChIKeyUCBZNRXYBHQHNX-WDZFZDKYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine?
The IUPAC name of (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine (CID 155349455) is (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine.
What is the SMILES notation for (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine?
The canonical SMILES for (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine is C=C/C=C1/C=CC(C(C)(C)C)=CN1N.
What is the InChIKey of (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine?
The InChIKey is UCBZNRXYBHQHNX-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-6-11-8-7-10(9-14(11)13)12(2,3)4/h5-9H,1,13H2,2-4H3/b11-6-.
What are the key properties of (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine?
(2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-tert-butyl-2-prop-2-enylidenepyridin-1-amine is sourced from PubChem (CID 155349455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).