3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine

C10H21NO — CID 155082784

IUPAC3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
SMILESC=C(C)CCOC(C)(C)CCN
InChIInChI=1S/C10H21NO/c1-9(2)5-8-12-10(3,4)6-7-11/h1,5-8,11H2,2-4H3
InChIKeyLWIWEVKTVKDMGK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine

3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine (PubChem CID 155082784) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
PubChem CID155082784
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
SMILESC=C(C)CCOC(C)(C)CCN
InChIInChI=1S/C10H21NO/c1-9(2)5-8-12-10(3,4)6-7-11/h1,5-8,11H2,2-4H3
InChIKeyLWIWEVKTVKDMGK-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699
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-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
3-[2-(3-aminopropoxy)-2-methylpropoxy]-3-methylbutan-1-amine
CID 126734021
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
6-[2-(1-fluoroethenylamino)ethoxy]-3,3,6-trimethylheptan-1-amine
CID 166654405
10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene
CID 162304034
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine?
The IUPAC name of 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine (CID 155082784) is 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine is C=C(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine?
The InChIKey is LWIWEVKTVKDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-8-12-10(3,4)6-7-11/h1,5-8,11H2,2-4H3.
What are the key properties of 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine?
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine is sourced from PubChem (CID 155082784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).