N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine

C15H36N4O2 — CID 57320157

IUPACN',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine
SMILESCC(CN(CCCN)CC(C)OCCCN)OCCCN
InChIInChI=1S/C15H36N4O2/c1-14(20-10-4-7-17)12-19(9-3-6-16)13-15(2)21-11-5-8-18/h14-15H,3-13,16-18H2,1-2H3
InChIKeySWRYMNSZBHPDQD-UHFFFAOYSA-N
MW304.48 g/mol
LogP0.14
Rot. Bonds15

About N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine

N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine (PubChem CID 57320157) has the molecular formula C15H36N4O2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine
PubChem CID57320157
Molecular FormulaC15H36N4O2
Molecular Weight304.48 g/mol
Exact Mass304.28
IUPAC NameN',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine
SMILESCC(CN(CCCN)CC(C)OCCCN)OCCCN
InChIInChI=1S/C15H36N4O2/c1-14(20-10-4-7-17)12-19(9-3-6-16)13-15(2)21-11-5-8-18/h14-15H,3-13,16-18H2,1-2H3
InChIKeySWRYMNSZBHPDQD-UHFFFAOYSA-N
XLogP0.14
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 50.14
H-Bond Donors ≤ 53
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[2-(3-aminopropoxy)propyl]propane-1,3-diamine?
The IUPAC name of N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine (CID 57320157) is N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine is CC(CN(CCCN)CC(C)OCCCN)OCCCN.
What is the InChIKey of N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine?
The InChIKey is SWRYMNSZBHPDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4O2/c1-14(20-10-4-7-17)12-19(9-3-6-16)13-15(2)21-11-5-8-18/h14-15H,3-13,16-18H2,1-2H3.
What are the key properties of N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine?
N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine has a molecular weight of 304.48 g/mol, XLogP of 0.14, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[2-(3-aminopropoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 57320157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).