2-methylpropan-2-amine;triazinane

C7H20N4 — CID 67398782

IUPAC2-methylpropan-2-amine;triazinane
SMILESC1CNNNC1.CC(C)(C)N
InChIInChI=1S/C4H11N.C3H9N3/c1-4(2,3)5;1-2-4-6-5-3-1/h5H2,1-3H3;4-6H,1-3H2
InChIKeyATWFGLAOEVAPEQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.27
Rot. Bonds

About 2-methylpropan-2-amine;triazinane

2-methylpropan-2-amine;triazinane (PubChem CID 67398782) has the molecular formula C7H20N4 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-methylpropan-2-amine;triazinane.

Molecular Properties

Compound Name2-methylpropan-2-amine;triazinane
PubChem CID67398782
Molecular FormulaC7H20N4
Molecular Weight160.26 g/mol
Exact Mass160.17
IUPAC Name2-methylpropan-2-amine;triazinane
SMILESC1CNNNC1.CC(C)(C)N
InChIInChI=1S/C4H11N.C3H9N3/c1-4(2,3)5;1-2-4-6-5-3-1/h5H2,1-3H3;4-6H,1-3H2
InChIKeyATWFGLAOEVAPEQ-UHFFFAOYSA-N
XLogP-0.27
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;triazinane?
The IUPAC name of 2-methylpropan-2-amine;triazinane (CID 67398782) is 2-methylpropan-2-amine;triazinane.
What is the SMILES notation for 2-methylpropan-2-amine;triazinane?
The canonical SMILES for 2-methylpropan-2-amine;triazinane is C1CNNNC1.CC(C)(C)N.
What is the InChIKey of 2-methylpropan-2-amine;triazinane?
The InChIKey is ATWFGLAOEVAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9N3/c1-4(2,3)5;1-2-4-6-5-3-1/h5H2,1-3H3;4-6H,1-3H2.
What are the key properties of 2-methylpropan-2-amine;triazinane?
2-methylpropan-2-amine;triazinane has a molecular weight of 160.26 g/mol, XLogP of -0.27, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;triazinane is sourced from PubChem (CID 67398782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).