4-N-tert-butylbenzene-1,2,4-triamine

C10H17N3 — CID 106750276

IUPAC4-N-tert-butylbenzene-1,2,4-triamine
SMILESCC(C)(C)Nc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3/c1-10(2,3)13-7-4-5-8(11)9(12)6-7/h4-6,13H,11-12H2,1-3H3
InChIKeySWYCSLPLIGYSBM-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.06
Rot. Bonds1

About 4-N-tert-butylbenzene-1,2,4-triamine

4-N-tert-butylbenzene-1,2,4-triamine (PubChem CID 106750276) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-N-tert-butylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-tert-butylbenzene-1,2,4-triamine
PubChem CID106750276
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-N-tert-butylbenzene-1,2,4-triamine
SMILESCC(C)(C)Nc1ccc(N)c(N)c1
InChIInChI=1S/C10H17N3/c1-10(2,3)13-7-4-5-8(11)9(12)6-7/h4-6,13H,11-12H2,1-3H3
InChIKeySWYCSLPLIGYSBM-UHFFFAOYSA-N
XLogP2.06
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
CID 131246902
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
CID 106750959
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
N-tert-butylanthracen-2-amine
CID 170102220
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-tert-butylbenzene-1,2,4-triamine (CID 106750276) is 4-N-tert-butylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-tert-butylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-tert-butylbenzene-1,2,4-triamine is CC(C)(C)Nc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-tert-butylbenzene-1,2,4-triamine?
The InChIKey is SWYCSLPLIGYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)13-7-4-5-8(11)9(12)6-7/h4-6,13H,11-12H2,1-3H3.
What are the key properties of 4-N-tert-butylbenzene-1,2,4-triamine?
4-N-tert-butylbenzene-1,2,4-triamine has a molecular weight of 179.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butylbenzene-1,2,4-triamine is sourced from PubChem (CID 106750276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).