6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine

C13H29NO2 — CID 103181088

IUPAC6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
SMILESCNC(CCCOCCCOC)C(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)12(14-4)8-6-10-16-11-7-9-15-5/h12,14H,6-11H2,1-5H3
InChIKeyYGPAAJPWJIUACF-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine

6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine (PubChem CID 103181088) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
PubChem CID103181088
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
SMILESCNC(CCCOCCCOC)C(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)12(14-4)8-6-10-16-11-7-9-15-5/h12,14H,6-11H2,1-5H3
InChIKeyYGPAAJPWJIUACF-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
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

1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129
2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
CID 114856169
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine
CID 103413704
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
methyl 2-[3-[2-(4-methoxybutoxymethyl)-3-(3-methoxypropoxy)-2-(3-methoxypropoxymethyl)propoxy]propyl]-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexanoate
CID 161409757
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752
3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
CID 103181128
(3S)-N,2,2-trimethylhexan-3-amine
CID 155282870

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine?
The IUPAC name of 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine (CID 103181088) is 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine.
What is the SMILES notation for 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine?
The canonical SMILES for 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine is CNC(CCCOCCCOC)C(C)(C)C.
What is the InChIKey of 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine?
The InChIKey is YGPAAJPWJIUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-13(2,3)12(14-4)8-6-10-16-11-7-9-15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine?
6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine is sourced from PubChem (CID 103181088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).