N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine

C20H30N4O2 — CID 16727459

IUPACN,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine
SMILESCCC(COc1ccccn1)NCCNC(CC)COc1ccccn1
InChIInChI=1S/C20H30N4O2/c1-3-17(15-25-19-9-5-7-11-23-19)21-13-14-22-18(4-2)16-26-20-10-6-8-12-24-20/h5-12,17-18,21-22H,3-4,13-16H2,1-2H3
InChIKeyUMEFVVLBYIGWQV-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.67
Rot. Bonds13

About N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine

N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine (PubChem CID 16727459) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine
PubChem CID16727459
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine
SMILESCCC(COc1ccccn1)NCCNC(CC)COc1ccccn1
InChIInChI=1S/C20H30N4O2/c1-3-17(15-25-19-9-5-7-11-23-19)21-13-14-22-18(4-2)16-26-20-10-6-8-12-24-20/h5-12,17-18,21-22H,3-4,13-16H2,1-2H3
InChIKeyUMEFVVLBYIGWQV-UHFFFAOYSA-N
XLogP2.67
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine (CID 16727459) is N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine is CCC(COc1ccccn1)NCCNC(CC)COc1ccccn1.
What is the InChIKey of N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine?
The InChIKey is UMEFVVLBYIGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-17(15-25-19-9-5-7-11-23-19)21-13-14-22-18(4-2)16-26-20-10-6-8-12-24-20/h5-12,17-18,21-22H,3-4,13-16H2,1-2H3.
What are the key properties of N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine?
N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine has a molecular weight of 358.49 g/mol, XLogP of 2.67, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-pyridin-2-yloxybutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 16727459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).