2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane

C9H21N3 — CID 170098124

IUPAC2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane
SMILESC=C(C)N(C)NN(CC)C(C)C
InChIInChI=1S/C9H21N3/c1-7-12(9(4)5)10-11(6)8(2)3/h9-10H,2,7H2,1,3-6H3
InChIKeyKZHIPIWOQIDHKZ-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.60
Rot. Bonds5

About 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane

2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane (PubChem CID 170098124) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane.

Molecular Properties

Compound Name2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane
PubChem CID170098124
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane
SMILESC=C(C)N(C)NN(CC)C(C)C
InChIInChI=1S/C9H21N3/c1-7-12(9(4)5)10-11(6)8(2)3/h9-10H,2,7H2,1,3-6H3
InChIKeyKZHIPIWOQIDHKZ-UHFFFAOYSA-N
XLogP1.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane?
The IUPAC name of 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane (CID 170098124) is 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane.
What is the SMILES notation for 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane?
The canonical SMILES for 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane is C=C(C)N(C)NN(CC)C(C)C.
What is the InChIKey of 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane?
The InChIKey is KZHIPIWOQIDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7-12(9(4)5)10-11(6)8(2)3/h9-10H,2,7H2,1,3-6H3.
What are the key properties of 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane?
2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane has a molecular weight of 171.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methyl-2-prop-1-en-2-ylhydrazinyl)amino]propane is sourced from PubChem (CID 170098124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).