3-(8,10-dimethylundecoxy)propan-1-amine

C16H35NO — CID 22833357

IUPAC3-(8,10-dimethylundecoxy)propan-1-amine
SMILESCC(C)CC(C)CCCCCCCOCCCN
InChIInChI=1S/C16H35NO/c1-15(2)14-16(3)10-7-5-4-6-8-12-18-13-9-11-17/h15-16H,4-14,17H2,1-3H3
InChIKeyJCBFWZDDDTVBFC-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.37
Rot. Bonds13

About 3-(8,10-dimethylundecoxy)propan-1-amine

3-(8,10-dimethylundecoxy)propan-1-amine (PubChem CID 22833357) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-(8,10-dimethylundecoxy)propan-1-amine.

Molecular Properties

Compound Name3-(8,10-dimethylundecoxy)propan-1-amine
PubChem CID22833357
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-(8,10-dimethylundecoxy)propan-1-amine
SMILESCC(C)CC(C)CCCCCCCOCCCN
InChIInChI=1S/C16H35NO/c1-15(2)14-16(3)10-7-5-4-6-8-12-18-13-9-11-17/h15-16H,4-14,17H2,1-3H3
InChIKeyJCBFWZDDDTVBFC-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.37
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
3-[(2,4,6-Trimethyldecyl)oxy]propan-1-amine
CID 13272239
N~1~-{3-[(2,4,6-Trimethyldecyl)oxy]propyl}propane-1,3-diamine
CID 13956030

Frequently Asked Questions

What is the IUPAC name of 3-(8,10-dimethylundecoxy)propan-1-amine?
The IUPAC name of 3-(8,10-dimethylundecoxy)propan-1-amine (CID 22833357) is 3-(8,10-dimethylundecoxy)propan-1-amine.
What is the SMILES notation for 3-(8,10-dimethylundecoxy)propan-1-amine?
The canonical SMILES for 3-(8,10-dimethylundecoxy)propan-1-amine is CC(C)CC(C)CCCCCCCOCCCN.
What is the InChIKey of 3-(8,10-dimethylundecoxy)propan-1-amine?
The InChIKey is JCBFWZDDDTVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-15(2)14-16(3)10-7-5-4-6-8-12-18-13-9-11-17/h15-16H,4-14,17H2,1-3H3.
What are the key properties of 3-(8,10-dimethylundecoxy)propan-1-amine?
3-(8,10-dimethylundecoxy)propan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.37, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,10-dimethylundecoxy)propan-1-amine is sourced from PubChem (CID 22833357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).