N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine

C19H42N2O — CID 22833356

IUPACN'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine
SMILESCC(C)CC(C)CCCCCCCOCCCNCCCN
InChIInChI=1S/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3
InChIKeyOMQFYSDZSLDVLL-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.35
Rot. Bonds17

About N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine

N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine (PubChem CID 22833356) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine
PubChem CID22833356
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC NameN'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine
SMILESCC(C)CC(C)CCCCCCCOCCCNCCCN
InChIInChI=1S/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3
InChIKeyOMQFYSDZSLDVLL-UHFFFAOYSA-N
XLogP4.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine (CID 22833356) is N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine is CC(C)CC(C)CCCCCCCOCCCNCCCN.
What is the InChIKey of N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine?
The InChIKey is OMQFYSDZSLDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3.
What are the key properties of N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine?
N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine has a molecular weight of 314.56 g/mol, XLogP of 4.35, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 22833356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).