(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine

C13H22N4 — CID 130450433

IUPAC(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
SMILESC=C(C(C)C)N(C)CC/C(C)=C\c1ncn[nH]1
InChIInChI=1S/C13H22N4/c1-10(2)12(4)17(5)7-6-11(3)8-13-14-9-15-16-13/h8-10H,4,6-7H2,1-3,5H3,(H,14,15,16)/b11-8-
InChIKeyGLFUUGIEZMRPAO-FLIBITNWSA-N
MW234.35 g/mol
LogP2.70
Rot. Bonds6

About (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine

(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine (PubChem CID 130450433) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
PubChem CID130450433
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
SMILESC=C(C(C)C)N(C)CC/C(C)=C\c1ncn[nH]1
InChIInChI=1S/C13H22N4/c1-10(2)12(4)17(5)7-6-11(3)8-13-14-9-15-16-13/h8-10H,4,6-7H2,1-3,5H3,(H,14,15,16)/b11-8-
InChIKeyGLFUUGIEZMRPAO-FLIBITNWSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine?
The IUPAC name of (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine (CID 130450433) is (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine is C=C(C(C)C)N(C)CC/C(C)=C\c1ncn[nH]1.
What is the InChIKey of (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine?
The InChIKey is GLFUUGIEZMRPAO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)12(4)17(5)7-6-11(3)8-13-14-9-15-16-13/h8-10H,4,6-7H2,1-3,5H3,(H,14,15,16)/b11-8-.
What are the key properties of (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine?
(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine has a molecular weight of 234.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 130450433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).