bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)

C14H34N10 — CID 173164989

IUPACbis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)
SMILESCC(C)NC(C)C.CC(C)NC(C)C.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C6H15N.2CH2N4/c2*1-5(2)7-6(3)4;2*1-2-4-5-3-1/h2*5-7H,1-4H3;2*1H,(H,2,3,4,5)
InChIKeyDBFAKILQMLNRPL-UHFFFAOYSA-N
MW342.50 g/mol
LogP1.18
Rot. Bonds4

About bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)

bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole) (PubChem CID 173164989) has the molecular formula C14H34N10 and a molecular weight of 342.50 g/mol. Its IUPAC name is bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole).

Molecular Properties

Compound Namebis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)
PubChem CID173164989
Molecular FormulaC14H34N10
Molecular Weight342.50 g/mol
Exact Mass342.30
IUPAC Namebis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)
SMILESCC(C)NC(C)C.CC(C)NC(C)C.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/2C6H15N.2CH2N4/c2*1-5(2)7-6(3)4;2*1-2-4-5-3-1/h2*5-7H,1-4H3;2*1H,(H,2,3,4,5)
InChIKeyDBFAKILQMLNRPL-UHFFFAOYSA-N
XLogP1.18
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)?
The IUPAC name of bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole) (CID 173164989) is bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole).
What is the SMILES notation for bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)?
The canonical SMILES for bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole) is CC(C)NC(C)C.CC(C)NC(C)C.c1nn[nH]n1.c1nn[nH]n1.
What is the InChIKey of bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)?
The InChIKey is DBFAKILQMLNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.2CH2N4/c2*1-5(2)7-6(3)4;2*1-2-4-5-3-1/h2*5-7H,1-4H3;2*1H,(H,2,3,4,5).
What are the key properties of bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)?
bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole) has a molecular weight of 342.50 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole) is sourced from PubChem (CID 173164989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).