5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine

C13H29NO — CID 66227733

IUPAC5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-5-14-10-7-6-8-11-15-12-9-13(2,3)4/h14H,5-12H2,1-4H3
InChIKeyJUUKQDUSCJMVOB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine

5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine (PubChem CID 66227733) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
PubChem CID66227733
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-5-14-10-7-6-8-11-15-12-9-13(2,3)4/h14H,5-12H2,1-4H3
InChIKeyJUUKQDUSCJMVOB-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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

N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
CID 112589971
5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
N,N'-diethylpentane-1,5-diamine
CID 15013244
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455622
2-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine (CID 66227733) is 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine is CCNCCCCCOCCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine?
The InChIKey is JUUKQDUSCJMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-14-10-7-6-8-11-15-12-9-13(2,3)4/h14H,5-12H2,1-4H3.
What are the key properties of 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine?
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 66227733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).