4-(2-methylhydrazinyl)-3-propan-2-ylaniline

C10H17N3 — CID 170119956

IUPAC4-(2-methylhydrazinyl)-3-propan-2-ylaniline
SMILESCNNc1ccc(N)cc1C(C)C
InChIInChI=1S/C10H17N3/c1-7(2)9-6-8(11)4-5-10(9)13-12-3/h4-7,12-13H,11H2,1-3H3
InChIKeyVRSGHDLZEADPPZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.94
Rot. Bonds3

About 4-(2-methylhydrazinyl)-3-propan-2-ylaniline

4-(2-methylhydrazinyl)-3-propan-2-ylaniline (PubChem CID 170119956) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(2-methylhydrazinyl)-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-methylhydrazinyl)-3-propan-2-ylaniline
PubChem CID170119956
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(2-methylhydrazinyl)-3-propan-2-ylaniline
SMILESCNNc1ccc(N)cc1C(C)C
InChIInChI=1S/C10H17N3/c1-7(2)9-6-8(11)4-5-10(9)13-12-3/h4-7,12-13H,11H2,1-3H3
InChIKeyVRSGHDLZEADPPZ-UHFFFAOYSA-N
XLogP1.94
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhydrazinyl)-3-propan-2-ylaniline?
The IUPAC name of 4-(2-methylhydrazinyl)-3-propan-2-ylaniline (CID 170119956) is 4-(2-methylhydrazinyl)-3-propan-2-ylaniline.
What is the SMILES notation for 4-(2-methylhydrazinyl)-3-propan-2-ylaniline?
The canonical SMILES for 4-(2-methylhydrazinyl)-3-propan-2-ylaniline is CNNc1ccc(N)cc1C(C)C.
What is the InChIKey of 4-(2-methylhydrazinyl)-3-propan-2-ylaniline?
The InChIKey is VRSGHDLZEADPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-6-8(11)4-5-10(9)13-12-3/h4-7,12-13H,11H2,1-3H3.
What are the key properties of 4-(2-methylhydrazinyl)-3-propan-2-ylaniline?
4-(2-methylhydrazinyl)-3-propan-2-ylaniline has a molecular weight of 179.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhydrazinyl)-3-propan-2-ylaniline is sourced from PubChem (CID 170119956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).