1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine

C50H109N7 — CID 158259295

IUPAC1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.3C9H19N.C8H17N.C6H15N/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)7(4)5/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-5H3
InChIKeyGHRIINPNMZQZNV-UHFFFAOYSA-N
MW808.47 g/mol
LogP11.07
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine

1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine (PubChem CID 158259295) has the molecular formula C50H109N7 and a molecular weight of 808.47 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
PubChem CID158259295
Molecular FormulaC50H109N7
Molecular Weight808.47 g/mol
Exact Mass807.87
IUPAC Name1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.3C9H19N.C8H17N.C6H15N/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)7(4)5/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-5H3
InChIKeyGHRIINPNMZQZNV-UHFFFAOYSA-N
XLogP11.07
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.47
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine (CID 158259295) is 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN(C)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine?
The InChIKey is GHRIINPNMZQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.3C9H19N.C8H17N.C6H15N/c1-9(2,3)11-7-5-10(4)6-8-11;3*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)7(4)5/h5-8H2,1-4H3;3*4-8H2,1-3H3;4-7H2,1-3H3;1-5H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine?
1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine has a molecular weight of 808.47 g/mol, XLogP of 11.07, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 158259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).