N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine

C15H17N3 — CID 118152205

IUPACN-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C15H17N3/c1-5-8-17(3)11-12(2)13-6-7-15-14(9-13)10-16-18(15)4/h1,6-7,9-10H,2,8,11H2,3-4H3
InChIKeyRKIDPRBXUUVIIM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine

N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 118152205) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine
PubChem CID118152205
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(C)CC(=C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C15H17N3/c1-5-8-17(3)11-12(2)13-6-7-15-14(9-13)10-16-18(15)4/h1,6-7,9-10H,2,8,11H2,3-4H3
InChIKeyRKIDPRBXUUVIIM-UHFFFAOYSA-N
XLogP2.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine (CID 118152205) is N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine is C#CCN(C)CC(=C)c1ccc2c(cnn2C)c1.
What is the InChIKey of N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is RKIDPRBXUUVIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-5-8-17(3)11-12(2)13-6-7-15-14(9-13)10-16-18(15)4/h1,6-7,9-10H,2,8,11H2,3-4H3.
What are the key properties of N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine?
N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindazol-5-yl)-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 118152205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).