(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine

C15H24N2 — CID 170789194

IUPAC(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine
SMILESCNC/C(C)=C/c1cnccc1[C@H](C)C(C)C
InChIInChI=1S/C15H24N2/c1-11(2)13(4)15-6-7-17-10-14(15)8-12(3)9-16-5/h6-8,10-11,13,16H,9H2,1-5H3/b12-8+/t13-/m1/s1
InChIKeyPDCUJGUKZMPKGN-YQCJOKCJSA-N
MW232.37 g/mol
LogP3.46
Rot. Bonds5

About (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine

(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine (PubChem CID 170789194) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine
PubChem CID170789194
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine
SMILESCNC/C(C)=C/c1cnccc1[C@H](C)C(C)C
InChIInChI=1S/C15H24N2/c1-11(2)13(4)15-6-7-17-10-14(15)8-12(3)9-16-5/h6-8,10-11,13,16H,9H2,1-5H3/b12-8+/t13-/m1/s1
InChIKeyPDCUJGUKZMPKGN-YQCJOKCJSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine (CID 170789194) is (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine is CNC/C(C)=C/c1cnccc1[C@H](C)C(C)C.
What is the InChIKey of (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine?
The InChIKey is PDCUJGUKZMPKGN-YQCJOKCJSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)13(4)15-6-7-17-10-14(15)8-12(3)9-16-5/h6-8,10-11,13,16H,9H2,1-5H3/b12-8+/t13-/m1/s1.
What are the key properties of (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine?
(E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-[4-[(2R)-3-methylbutan-2-yl]-3-pyridinyl]prop-2-en-1-amine is sourced from PubChem (CID 170789194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).