2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide

C16H36N6O — CID 142122930

IUPAC2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide
SMILESC=C(CNCCCN(CCCN)CCCN)NCC(=O)N(C)C
InChIInChI=1S/C16H36N6O/c1-15(20-14-16(23)21(2)3)13-19-9-6-12-22(10-4-7-17)11-5-8-18/h19-20H,1,4-14,17-18H2,2-3H3
InChIKeyLYACKGBYELDXAN-UHFFFAOYSA-N
MW328.51 g/mol
LogP-0.84
Rot. Bonds15

About 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide

2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide (PubChem CID 142122930) has the molecular formula C16H36N6O and a molecular weight of 328.51 g/mol. Its IUPAC name is 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide
PubChem CID142122930
Molecular FormulaC16H36N6O
Molecular Weight328.51 g/mol
Exact Mass328.30
IUPAC Name2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide
SMILESC=C(CNCCCN(CCCN)CCCN)NCC(=O)N(C)C
InChIInChI=1S/C16H36N6O/c1-15(20-14-16(23)21(2)3)13-19-9-6-12-22(10-4-7-17)11-5-8-18/h19-20H,1,4-14,17-18H2,2-3H3
InChIKeyLYACKGBYELDXAN-UHFFFAOYSA-N
XLogP-0.84
TPSA99.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
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 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide (CID 142122930) is 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide is C=C(CNCCCN(CCCN)CCCN)NCC(=O)N(C)C.
What is the InChIKey of 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide?
The InChIKey is LYACKGBYELDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N6O/c1-15(20-14-16(23)21(2)3)13-19-9-6-12-22(10-4-7-17)11-5-8-18/h19-20H,1,4-14,17-18H2,2-3H3.
What are the key properties of 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide?
2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide has a molecular weight of 328.51 g/mol, XLogP of -0.84, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[bis(3-aminopropyl)amino]propylamino]prop-1-en-2-ylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 142122930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).