3-(2,4,6-trimethyldecoxy)propan-1-amine

C16H35NO — CID 13272239

IUPAC3-(2,4,6-trimethyldecoxy)propan-1-amine
SMILESCCCCC(C)CC(C)CC(C)COCCCN
InChIInChI=1S/C16H35NO/c1-5-6-8-14(2)11-15(3)12-16(4)13-18-10-7-9-17/h14-16H,5-13,17H2,1-4H3
InChIKeyQCCRZABDWHPVCI-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.23
Rot. Bonds12

About 3-(2,4,6-trimethyldecoxy)propan-1-amine

3-(2,4,6-trimethyldecoxy)propan-1-amine (PubChem CID 13272239) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-(2,4,6-trimethyldecoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,6-trimethyldecoxy)propan-1-amine
PubChem CID13272239
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-(2,4,6-trimethyldecoxy)propan-1-amine
SMILESCCCCC(C)CC(C)CC(C)COCCCN
InChIInChI=1S/C16H35NO/c1-5-6-8-14(2)11-15(3)12-16(4)13-18-10-7-9-17/h14-16H,5-13,17H2,1-4H3
InChIKeyQCCRZABDWHPVCI-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl 3-aminopropyl ether
CID 21499
1-Propanamine, 3-(isodecyloxy)-
CID 120013
1-Propanamine, 3-(isononyloxy)-
CID 121810
1-Propanamine, 3-(hexadecyloxy)-
CID 78406
1-Propanamine, 3-(tetradecyloxy)-
CID 82089
3-(Tridecyloxy)-1-propanamine
CID 84589
3-(Isotridecyloxy)-1-propanamine
CID 170945
1-Propanamine, 3-(isooctyloxy)-
CID 110088
1-Propanamine, 3-(octadecyloxy)-
CID 82087
1-Propanamine, 3-(pentadecyloxy)-
CID 100893
N~1~-{3-[(2,4,6-Trimethyldecyl)oxy]propyl}propane-1,3-diamine
CID 13956030
N'-[3-(8,10-dimethylundecoxy)propyl]propane-1,3-diamine
CID 22833356

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethyldecoxy)propan-1-amine?
The IUPAC name of 3-(2,4,6-trimethyldecoxy)propan-1-amine (CID 13272239) is 3-(2,4,6-trimethyldecoxy)propan-1-amine.
What is the SMILES notation for 3-(2,4,6-trimethyldecoxy)propan-1-amine?
The canonical SMILES for 3-(2,4,6-trimethyldecoxy)propan-1-amine is CCCCC(C)CC(C)CC(C)COCCCN.
What is the InChIKey of 3-(2,4,6-trimethyldecoxy)propan-1-amine?
The InChIKey is QCCRZABDWHPVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-6-8-14(2)11-15(3)12-16(4)13-18-10-7-9-17/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 3-(2,4,6-trimethyldecoxy)propan-1-amine?
3-(2,4,6-trimethyldecoxy)propan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethyldecoxy)propan-1-amine is sourced from PubChem (CID 13272239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).