2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline

C13H23N3 — CID 155249617

IUPAC2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline
SMILESCC(C)c1cc(N)c(N(C)N)c(C(C)C)c1
InChIInChI=1S/C13H23N3/c1-8(2)10-6-11(9(3)4)13(16(5)15)12(14)7-10/h6-9H,14-15H2,1-5H3
InChIKeyQCJZVGVJIKGDBD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.83
Rot. Bonds3

About 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline

2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline (PubChem CID 155249617) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline.

Molecular Properties

Compound Name2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline
PubChem CID155249617
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline
SMILESCC(C)c1cc(N)c(N(C)N)c(C(C)C)c1
InChIInChI=1S/C13H23N3/c1-8(2)10-6-11(9(3)4)13(16(5)15)12(14)7-10/h6-9H,14-15H2,1-5H3
InChIKeyQCJZVGVJIKGDBD-UHFFFAOYSA-N
XLogP2.83
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline?
The IUPAC name of 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline (CID 155249617) is 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline.
What is the SMILES notation for 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline?
The canonical SMILES for 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline is CC(C)c1cc(N)c(N(C)N)c(C(C)C)c1.
What is the InChIKey of 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline?
The InChIKey is QCJZVGVJIKGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-8(2)10-6-11(9(3)4)13(16(5)15)12(14)7-10/h6-9H,14-15H2,1-5H3.
What are the key properties of 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline?
2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline has a molecular weight of 221.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline is sourced from PubChem (CID 155249617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).