N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine

C17H35NO2 — CID 173351165

IUPACN-(2,2-dimethylundecyl)-1,3-dioxan-5-amine
SMILESCCCCCCCCCC(C)(C)CNC1COCOC1
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-17(2,3)14-18-16-12-19-15-20-13-16/h16,18H,4-15H2,1-3H3
InChIKeyDGEMMOJAVZFNEB-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.12
Rot. Bonds11

About N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine

N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine (PubChem CID 173351165) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylundecyl)-1,3-dioxan-5-amine
PubChem CID173351165
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-(2,2-dimethylundecyl)-1,3-dioxan-5-amine
SMILESCCCCCCCCCC(C)(C)CNC1COCOC1
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-17(2,3)14-18-16-12-19-15-20-13-16/h16,18H,4-15H2,1-3H3
InChIKeyDGEMMOJAVZFNEB-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 63523416
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CID 62723717
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
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16,16,21,21-tetramethylhexatriacontane
CID 174880889
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
CID 166929459
3-(5-methyldodecan-5-yl)oxetane
CID 130337165

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine?
The IUPAC name of N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine (CID 173351165) is N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine?
The canonical SMILES for N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine is CCCCCCCCCC(C)(C)CNC1COCOC1.
What is the InChIKey of N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine?
The InChIKey is DGEMMOJAVZFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-17(2,3)14-18-16-12-19-15-20-13-16/h16,18H,4-15H2,1-3H3.
What are the key properties of N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine?
N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine has a molecular weight of 285.47 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylundecyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 173351165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).