N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine

C25H53N7O — CID 141049285

IUPACN'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine
SMILESCCCNC(CCN(NCCCN1CCCCC1)NCCCN1CCOCC1)N1CCCC1
InChIInChI=1S/C25H53N7O/c1-2-11-26-25(31-18-6-7-19-31)10-20-32(27-12-8-16-29-14-4-3-5-15-29)28-13-9-17-30-21-23-33-24-22-30/h25-28H,2-24H2,1H3
InChIKeyBAHVRPOGRVKEON-UHFFFAOYSA-N
MW467.75 g/mol
LogP1.71
Rot. Bonds17

About N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine

N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine (PubChem CID 141049285) has the molecular formula C25H53N7O and a molecular weight of 467.75 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine
PubChem CID141049285
Molecular FormulaC25H53N7O
Molecular Weight467.75 g/mol
Exact Mass467.43
IUPAC NameN'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine
SMILESCCCNC(CCN(NCCCN1CCCCC1)NCCCN1CCOCC1)N1CCCC1
InChIInChI=1S/C25H53N7O/c1-2-11-26-25(31-18-6-7-19-31)10-20-32(27-12-8-16-29-14-4-3-5-15-29)28-13-9-17-30-21-23-33-24-22-30/h25-28H,2-24H2,1H3
InChIKeyBAHVRPOGRVKEON-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.75
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine (CID 141049285) is N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine is CCCNC(CCN(NCCCN1CCCCC1)NCCCN1CCOCC1)N1CCCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine?
The InChIKey is BAHVRPOGRVKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N7O/c1-2-11-26-25(31-18-6-7-19-31)10-20-32(27-12-8-16-29-14-4-3-5-15-29)28-13-9-17-30-21-23-33-24-22-30/h25-28H,2-24H2,1H3.
What are the key properties of N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine?
N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine has a molecular weight of 467.75 g/mol, XLogP of 1.71, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropylamino)-N'-(3-piperidin-1-ylpropylamino)-N-propyl-1-pyrrolidin-1-ylpropane-1,3-diamine is sourced from PubChem (CID 141049285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).