3-methyl-3-propoxybutan-1-amine

C8H19NO — CID 91003032

IUPAC3-methyl-3-propoxybutan-1-amine
SMILESCCCOC(C)(C)CCN
InChIInChI=1S/C8H19NO/c1-4-7-10-8(2,3)5-6-9/h4-7,9H2,1-3H3
InChIKeySEHBBOOKJCRCPY-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds5

About 3-methyl-3-propoxybutan-1-amine

3-methyl-3-propoxybutan-1-amine (PubChem CID 91003032) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methyl-3-propoxybutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-propoxybutan-1-amine
PubChem CID91003032
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-methyl-3-propoxybutan-1-amine
SMILESCCCOC(C)(C)CCN
InChIInChI=1S/C8H19NO/c1-4-7-10-8(2,3)5-6-9/h4-7,9H2,1-3H3
InChIKeySEHBBOOKJCRCPY-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Tert-butoxy)propan-1-amine
CID 16218572
3-(3-Methylbutoxy)propan-1-amine
CID 21414195
(3-Methoxy-3-methylbutyl)amine
CID 22273167
3-(2,2-Dimethylpropoxy)propan-1-amine
CID 71773694
3-Methoxy-3-methylbutan-1-amine hydrochloride
CID 89813937
4-(Tert-butoxy)butan-1-amine hydrochloride
CID 138987565
3-(Tert-butoxy)-2,2-dimethylpropan-1-amine hydrochloride
CID 167735596
3-(3-Methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
4-(Tert-butoxy)butan-1-amine
CID 18672802
3-(Tert-butoxy)-2-fluoropropan-1-amine
CID 83853882
3-(3-Fluorobutoxy)-3-methylbutan-1-amine
CID 138717479
2-Fluoro-3-methyl-3-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 170082902

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propoxybutan-1-amine?
The IUPAC name of 3-methyl-3-propoxybutan-1-amine (CID 91003032) is 3-methyl-3-propoxybutan-1-amine.
What is the SMILES notation for 3-methyl-3-propoxybutan-1-amine?
The canonical SMILES for 3-methyl-3-propoxybutan-1-amine is CCCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-propoxybutan-1-amine?
The InChIKey is SEHBBOOKJCRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7-10-8(2,3)5-6-9/h4-7,9H2,1-3H3.
What are the key properties of 3-methyl-3-propoxybutan-1-amine?
3-methyl-3-propoxybutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propoxybutan-1-amine is sourced from PubChem (CID 91003032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).