N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol

C14H35NO2 — CID 176553145

IUPACN,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
SMILESCC.CNCCC(C)C.COC(C)(C)CCO
InChIInChI=1S/C6H15N.C6H14O2.C2H6/c1-6(2)4-5-7-3;1-6(2,8-3)4-5-7;1-2/h6-7H,4-5H2,1-3H3;7H,4-5H2,1-3H3;1-2H3
InChIKeyZGGUPZYNLUNZPE-UHFFFAOYSA-N
MW249.44 g/mol
LogP3.07
Rot. Bonds6

About N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol

N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol (PubChem CID 176553145) has the molecular formula C14H35NO2 and a molecular weight of 249.44 g/mol. Its IUPAC name is N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound NameN,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
PubChem CID176553145
Molecular FormulaC14H35NO2
Molecular Weight249.44 g/mol
Exact Mass249.27
IUPAC NameN,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
SMILESCC.CNCCC(C)C.COC(C)(C)CCO
InChIInChI=1S/C6H15N.C6H14O2.C2H6/c1-6(2)4-5-7-3;1-6(2,8-3)4-5-7;1-2/h6-7H,4-5H2,1-3H3;7H,4-5H2,1-3H3;1-2H3
InChIKeyZGGUPZYNLUNZPE-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
ethane;(2-hydroxy-3-tetradecoxypropyl) N-(3-methylbutyl)carbamate;3-methoxy-3-methylbutan-1-ol
CID 142448950
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
3-methoxy-3-methylbutan-1-ol;3-methylbutanamide
CID 170646143
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
CID 165116641
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
7-methoxy-7-methyloctan-1-ol
CID 175444354

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol?
The IUPAC name of N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol (CID 176553145) is N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol is CC.CNCCC(C)C.COC(C)(C)CCO.
What is the InChIKey of N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol?
The InChIKey is ZGGUPZYNLUNZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H14O2.C2H6/c1-6(2)4-5-7-3;1-6(2,8-3)4-5-7;1-2/h6-7H,4-5H2,1-3H3;7H,4-5H2,1-3H3;1-2H3.
What are the key properties of N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol?
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol has a molecular weight of 249.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 176553145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).