2,4-dimethoxy-3-methylbutan-1-amine

C7H17NO2 — CID 116503390

IUPAC2,4-dimethoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)OC
InChIInChI=1S/C7H17NO2/c1-6(5-9-2)7(4-8)10-3/h6-7H,4-5,8H2,1-3H3
InChIKeyARGITOXEYRPKEV-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.24
Rot. Bonds5

About 2,4-dimethoxy-3-methylbutan-1-amine

2,4-dimethoxy-3-methylbutan-1-amine (PubChem CID 116503390) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name2,4-dimethoxy-3-methylbutan-1-amine
PubChem CID116503390
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2,4-dimethoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)OC
InChIInChI=1S/C7H17NO2/c1-6(5-9-2)7(4-8)10-3/h6-7H,4-5,8H2,1-3H3
InChIKeyARGITOXEYRPKEV-UHFFFAOYSA-N
XLogP0.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-methoxy-3-methylpentan-1-amine
CID 124510675
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
2,3,3-trimethoxypropan-1-amine
CID 23120503
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699
1,2,3-trimethoxy-4-methylpentane
CID 23384640
3-methoxy-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 154577691
(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
(3S)-3-iodo-1-methoxy-2-methylbutane
CID 88880583
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine
CID 66244570

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methylbutan-1-amine?
The IUPAC name of 2,4-dimethoxy-3-methylbutan-1-amine (CID 116503390) is 2,4-dimethoxy-3-methylbutan-1-amine.
What is the SMILES notation for 2,4-dimethoxy-3-methylbutan-1-amine?
The canonical SMILES for 2,4-dimethoxy-3-methylbutan-1-amine is COCC(C)C(CN)OC.
What is the InChIKey of 2,4-dimethoxy-3-methylbutan-1-amine?
The InChIKey is ARGITOXEYRPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(5-9-2)7(4-8)10-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2,4-dimethoxy-3-methylbutan-1-amine?
2,4-dimethoxy-3-methylbutan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116503390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).