3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine

C13H29NO — CID 153375570

IUPAC3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
SMILESCC(C)C(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C13H29NO/c1-11(2)12(3,4)8-10-15-13(5,6)7-9-14/h11H,7-10,14H2,1-6H3
InChIKeyNVMUWSJGJLFKOQ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.20
Rot. Bonds7

About 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine

3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine (PubChem CID 153375570) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
PubChem CID153375570
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
SMILESCC(C)C(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C13H29NO/c1-11(2)12(3,4)8-10-15-13(5,6)7-9-14/h11H,7-10,14H2,1-6H3
InChIKeyNVMUWSJGJLFKOQ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
CID 170705000
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 153358704
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
CID 126734021
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine?
The IUPAC name of 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine (CID 153375570) is 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine is CC(C)C(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine?
The InChIKey is NVMUWSJGJLFKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)12(3,4)8-10-15-13(5,6)7-9-14/h11H,7-10,14H2,1-6H3.
What are the key properties of 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine?
3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine is sourced from PubChem (CID 153375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).