N-methyl-N-[(4-propylphenyl)diazenyl]methanamine

C11H17N3 — CID 3042565

IUPACN-methyl-N-[(4-propylphenyl)diazenyl]methanamine
SMILESCCCc1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C11H17N3/c1-4-5-10-6-8-11(9-7-10)12-13-14(2)3/h6-9H,4-5H2,1-3H3/b13-12+
InChIKeyISNCIPBLANDUNX-OUKQBFOZSA-N
MW191.28 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-[(4-propylphenyl)diazenyl]methanamine

N-methyl-N-[(4-propylphenyl)diazenyl]methanamine (PubChem CID 3042565) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-methyl-N-[(4-propylphenyl)diazenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-propylphenyl)diazenyl]methanamine
PubChem CID3042565
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-methyl-N-[(4-propylphenyl)diazenyl]methanamine
SMILESCCCc1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C11H17N3/c1-4-5-10-6-8-11(9-7-10)12-13-14(2)3/h6-9H,4-5H2,1-3H3/b13-12+
InChIKeyISNCIPBLANDUNX-OUKQBFOZSA-N
XLogP3.20
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 N-methyl-N-[(4-propylphenyl)diazenyl]methanamine?
The IUPAC name of N-methyl-N-[(4-propylphenyl)diazenyl]methanamine (CID 3042565) is N-methyl-N-[(4-propylphenyl)diazenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(4-propylphenyl)diazenyl]methanamine?
The canonical SMILES for N-methyl-N-[(4-propylphenyl)diazenyl]methanamine is CCCc1ccc(/N=N/N(C)C)cc1.
What is the InChIKey of N-methyl-N-[(4-propylphenyl)diazenyl]methanamine?
The InChIKey is ISNCIPBLANDUNX-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-5-10-6-8-11(9-7-10)12-13-14(2)3/h6-9H,4-5H2,1-3H3/b13-12+.
What are the key properties of N-methyl-N-[(4-propylphenyl)diazenyl]methanamine?
N-methyl-N-[(4-propylphenyl)diazenyl]methanamine has a molecular weight of 191.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propylphenyl)diazenyl]methanamine is sourced from PubChem (CID 3042565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).