N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine

C17H35N3 — CID 72671830

IUPACN'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN(C)CCCN
InChIInChI=1S/C17H35N3/c1-16(2)8-5-9-17(3)10-13-19-12-7-15-20(4)14-6-11-18/h8,10,19H,5-7,9,11-15,18H2,1-4H3
InChIKeyVDLUUXZYJFKAFB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.94
Rot. Bonds12

About N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine

N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine (PubChem CID 72671830) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine
PubChem CID72671830
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN(C)CCCN
InChIInChI=1S/C17H35N3/c1-16(2)8-5-9-17(3)10-13-19-12-7-15-20(4)14-6-11-18/h8,10,19H,5-7,9,11-15,18H2,1-4H3
InChIKeyVDLUUXZYJFKAFB-UHFFFAOYSA-N
XLogP2.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine (CID 72671830) is N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine is CC(C)=CCCC(C)=CCNCCCN(C)CCCN.
What is the InChIKey of N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine?
The InChIKey is VDLUUXZYJFKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)8-5-9-17(3)10-13-19-12-7-15-20(4)14-6-11-18/h8,10,19H,5-7,9,11-15,18H2,1-4H3.
What are the key properties of N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine?
N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.94, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 72671830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).