N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine

C21H44N6O — CID 57161988

IUPACN'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
SMILESNCC(NCCC(NCCN1CCCCC1)N1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H44N6O/c22-19-21(27-15-17-28-18-16-27)23-8-7-20(26-12-5-2-6-13-26)24-9-14-25-10-3-1-4-11-25/h20-21,23-24H,1-19,22H2
InChIKeyPAEBALZNFOGPHB-UHFFFAOYSA-N
MW396.62 g/mol
LogP0.47
Rot. Bonds11

About N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine

N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine (PubChem CID 57161988) has the molecular formula C21H44N6O and a molecular weight of 396.62 g/mol. Its IUPAC name is N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
PubChem CID57161988
Molecular FormulaC21H44N6O
Molecular Weight396.62 g/mol
Exact Mass396.36
IUPAC NameN'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine
SMILESNCC(NCCC(NCCN1CCCCC1)N1CCCCC1)N1CCOCC1
InChIInChI=1S/C21H44N6O/c22-19-21(27-15-17-28-18-16-27)23-8-7-20(26-12-5-2-6-13-26)24-9-14-25-10-3-1-4-11-25/h20-21,23-24H,1-19,22H2
InChIKeyPAEBALZNFOGPHB-UHFFFAOYSA-N
XLogP0.47
TPSA69.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine (CID 57161988) is N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine is NCC(NCCC(NCCN1CCCCC1)N1CCCCC1)N1CCOCC1.
What is the InChIKey of N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is PAEBALZNFOGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N6O/c22-19-21(27-15-17-28-18-16-27)23-8-7-20(26-12-5-2-6-13-26)24-9-14-25-10-3-1-4-11-25/h20-21,23-24H,1-19,22H2.
What are the key properties of N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine?
N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 396.62 g/mol, XLogP of 0.47, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-1-morpholin-4-ylethyl)-1-piperidin-1-yl-N-(2-piperidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 57161988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).