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

C19H40N4 — CID 72671829

IUPACN'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN(CCCN)CCCN
InChIInChI=1S/C19H40N4/c1-18(2)8-4-9-19(3)10-14-22-13-7-17-23(15-5-11-20)16-6-12-21/h8,10,22H,4-7,9,11-17,20-21H2,1-3H3
InChIKeyKEPABEGBSVHEHB-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.66
Rot. Bonds15

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

N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine (PubChem CID 72671829) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine
PubChem CID72671829
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC NameN'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN(CCCN)CCCN
InChIInChI=1S/C19H40N4/c1-18(2)8-4-9-19(3)10-14-22-13-7-17-23(15-5-11-20)16-6-12-21/h8,10,22H,4-7,9,11-17,20-21H2,1-3H3
InChIKeyKEPABEGBSVHEHB-UHFFFAOYSA-N
XLogP2.66
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine (CID 72671829) is N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine is CC(C)=CCCC(C)=CCNCCCN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine?
The InChIKey is KEPABEGBSVHEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-18(2)8-4-9-19(3)10-14-22-13-7-17-23(15-5-11-20)16-6-12-21/h8,10,22H,4-7,9,11-17,20-21H2,1-3H3.
What are the key properties of N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine?
N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine has a molecular weight of 324.56 g/mol, XLogP of 2.66, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-[3-(3,7-dimethylocta-2,6-dienylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 72671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).