bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine

C19H49N5O3 — CID 174408743

IUPACbis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine
SMILESC1CCNC1.CC(C)(N)CO.CC(C)(N)CO.CNC.OC1CCNCC1
InChIInChI=1S/C5H11NO.2C4H11NO.C4H9N.C2H7N/c7-5-1-3-6-4-2-5;2*1-4(2,5)3-6;1-2-4-5-3-1;1-3-2/h5-7H,1-4H2;2*6H,3,5H2,1-2H3;5H,1-4H2;3H,1-2H3
InChIKeyBEXCLJGZILAQRJ-UHFFFAOYSA-N
MW395.63 g/mol
LogP-0.63
Rot. Bonds2

About bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine

bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine (PubChem CID 174408743) has the molecular formula C19H49N5O3 and a molecular weight of 395.63 g/mol. Its IUPAC name is bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine.

Molecular Properties

Compound Namebis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine
PubChem CID174408743
Molecular FormulaC19H49N5O3
Molecular Weight395.63 g/mol
Exact Mass395.38
IUPAC Namebis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine
SMILESC1CCNC1.CC(C)(N)CO.CC(C)(N)CO.CNC.OC1CCNCC1
InChIInChI=1S/C5H11NO.2C4H11NO.C4H9N.C2H7N/c7-5-1-3-6-4-2-5;2*1-4(2,5)3-6;1-2-4-5-3-1;1-3-2/h5-7H,1-4H2;2*6H,3,5H2,1-2H3;5H,1-4H2;3H,1-2H3
InChIKeyBEXCLJGZILAQRJ-UHFFFAOYSA-N
XLogP-0.63
TPSA148.82 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 5-0.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine?
The IUPAC name of bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine (CID 174408743) is bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine.
What is the SMILES notation for bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine?
The canonical SMILES for bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine is C1CCNC1.CC(C)(N)CO.CC(C)(N)CO.CNC.OC1CCNCC1.
What is the InChIKey of bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine?
The InChIKey is BEXCLJGZILAQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.2C4H11NO.C4H9N.C2H7N/c7-5-1-3-6-4-2-5;2*1-4(2,5)3-6;1-2-4-5-3-1;1-3-2/h5-7H,1-4H2;2*6H,3,5H2,1-2H3;5H,1-4H2;3H,1-2H3.
What are the key properties of bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine?
bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine has a molecular weight of 395.63 g/mol, XLogP of -0.63, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-methylpropan-1-ol);N-methylmethanamine;piperidin-4-ol;pyrrolidine is sourced from PubChem (CID 174408743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).