1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol

C24H31N5O — CID 101479636

IUPAC1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)CN(CCc1ccccn1)CCc1ccccn1
InChIInChI=1S/C24H31N5O/c30-24(19-25-16-10-21-7-1-4-13-26-21)20-29(17-11-22-8-2-5-14-27-22)18-12-23-9-3-6-15-28-23/h1-9,13-15,24-25,30H,10-12,16-20H2
InChIKeyBOXOVYSAMGWPPH-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.15
Rot. Bonds13

About 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol

1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 101479636) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
PubChem CID101479636
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccn1)CN(CCc1ccccn1)CCc1ccccn1
InChIInChI=1S/C24H31N5O/c30-24(19-25-16-10-21-7-1-4-13-26-21)20-29(17-11-22-8-2-5-14-27-22)18-12-23-9-3-6-15-28-23/h1-9,13-15,24-25,30H,10-12,16-20H2
InChIKeyBOXOVYSAMGWPPH-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
methyl 4-hydroxy-5-(2-pyridin-2-ylethylamino)pentanoate
CID 115123641
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 74229486
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol (CID 101479636) is 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol is OC(CNCCc1ccccn1)CN(CCc1ccccn1)CCc1ccccn1.
What is the InChIKey of 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is BOXOVYSAMGWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c30-24(19-25-16-10-21-7-1-4-13-26-21)20-29(17-11-22-8-2-5-14-27-22)18-12-23-9-3-6-15-28-23/h1-9,13-15,24-25,30H,10-12,16-20H2.
What are the key properties of 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol?
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 405.55 g/mol, XLogP of 2.15, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 101479636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).