N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine

C25H54N2O4 — CID 135274460

IUPACN,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine
SMILESCC(C)OCCCN(CCCOC(C)C)CN(CCCOC(C)C)CCCOC(C)C
InChIInChI=1S/C25H54N2O4/c1-22(2)28-17-9-13-26(14-10-18-29-23(3)4)21-27(15-11-19-30-24(5)6)16-12-20-31-25(7)8/h22-25H,9-21H2,1-8H3
InChIKeyPCGCPIFUCVQADZ-UHFFFAOYSA-N
MW446.72 g/mol
LogP4.81
Rot. Bonds22

About N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine

N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine (PubChem CID 135274460) has the molecular formula C25H54N2O4 and a molecular weight of 446.72 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine
PubChem CID135274460
Molecular FormulaC25H54N2O4
Molecular Weight446.72 g/mol
Exact Mass446.41
IUPAC NameN,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine
SMILESCC(C)OCCCN(CCCOC(C)C)CN(CCCOC(C)C)CCCOC(C)C
InChIInChI=1S/C25H54N2O4/c1-22(2)28-17-9-13-26(14-10-18-29-23(3)4)21-27(15-11-19-30-24(5)6)16-12-20-31-25(7)8/h22-25H,9-21H2,1-8H3
InChIKeyPCGCPIFUCVQADZ-UHFFFAOYSA-N
XLogP4.81
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.72
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine?
The IUPAC name of N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine (CID 135274460) is N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine.
What is the SMILES notation for N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine?
The canonical SMILES for N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine is CC(C)OCCCN(CCCOC(C)C)CN(CCCOC(C)C)CCCOC(C)C.
What is the InChIKey of N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine?
The InChIKey is PCGCPIFUCVQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2O4/c1-22(2)28-17-9-13-26(14-10-18-29-23(3)4)21-27(15-11-19-30-24(5)6)16-12-20-31-25(7)8/h22-25H,9-21H2,1-8H3.
What are the key properties of N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine?
N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine has a molecular weight of 446.72 g/mol, XLogP of 4.81, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine is sourced from PubChem (CID 135274460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).