2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine

C57H132N18O — CID 174798566

IUPAC2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine
SMILESNC1CCCCN1.NC1CCNCC1.NCC1CCCCN1.NCC1CCNCC1.NCCC1CCNCC1.NCCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/C8H18N2.3C7H16N2.C6H14N2O.2C6H14N2.2C5H12N2/c9-5-4-8-10-6-2-1-3-7-10;8-4-1-7-2-5-9-6-3-7;2*8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-8-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5/h1-9H2;7,9H,1-6,8H2;2*1-8H2;1-7H2;2*6,8H,1-5,7H2;2*5,7H,1-4,6H2
InChIKeyDTRFCFXECBZEIX-UHFFFAOYSA-N
MW1085.81 g/mol
LogP1.07
Rot. Bonds13

About 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine

2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine (PubChem CID 174798566) has the molecular formula C57H132N18O and a molecular weight of 1085.81 g/mol. Its IUPAC name is 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine
PubChem CID174798566
Molecular FormulaC57H132N18O
Molecular Weight1085.81 g/mol
Exact Mass1085.08
IUPAC Name2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine
SMILESNC1CCCCN1.NC1CCNCC1.NCC1CCCCN1.NCC1CCNCC1.NCCC1CCNCC1.NCCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/C8H18N2.3C7H16N2.C6H14N2O.2C6H14N2.2C5H12N2/c9-5-4-8-10-6-2-1-3-7-10;8-4-1-7-2-5-9-6-3-7;2*8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-8-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5/h1-9H2;7,9H,1-6,8H2;2*1-8H2;1-7H2;2*6,8H,1-5,7H2;2*5,7H,1-4,6H2
InChIKeyDTRFCFXECBZEIX-UHFFFAOYSA-N
XLogP1.07
TPSA316.52 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.81
LogP ≤ 51.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Analyze 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine (CID 174798566) is 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine is NC1CCCCN1.NC1CCNCC1.NCC1CCCCN1.NCC1CCNCC1.NCCC1CCNCC1.NCCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCCCC1.NCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine?
The InChIKey is DTRFCFXECBZEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.3C7H16N2.C6H14N2O.2C6H14N2.2C5H12N2/c9-5-4-8-10-6-2-1-3-7-10;8-4-1-7-2-5-9-6-3-7;2*8-4-7-9-5-2-1-3-6-9;7-1-2-8-3-5-9-6-4-8;7-5-6-1-3-8-4-2-6;7-5-6-3-1-2-4-8-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5/h1-9H2;7,9H,1-6,8H2;2*1-8H2;1-7H2;2*6,8H,1-5,7H2;2*5,7H,1-4,6H2.
What are the key properties of 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine?
2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1085.81 g/mol, XLogP of 1.07, 13 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethanamine;piperidin-2-amine;piperidin-4-amine;bis(2-piperidin-1-ylethanamine);2-piperidin-4-ylethanamine;piperidin-2-ylmethanamine;piperidin-4-ylmethanamine;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 174798566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).