4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol

C10H21NO2 — CID 106159692

IUPAC4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
SMILESC=C(C)CCNC(CCO)COC
InChIInChI=1S/C10H21NO2/c1-9(2)4-6-11-10(5-7-12)8-13-3/h10-12H,1,4-8H2,2-3H3
InChIKeyWQDYWMDUVJKFHM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds8

About 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol

4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol (PubChem CID 106159692) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
PubChem CID106159692
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
SMILESC=C(C)CCNC(CCO)COC
InChIInChI=1S/C10H21NO2/c1-9(2)4-6-11-10(5-7-12)8-13-3/h10-12H,1,4-8H2,2-3H3
InChIKeyWQDYWMDUVJKFHM-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
ethyl 6-[(4-hydroxy-1-methoxybutan-2-yl)amino]hexanoate
CID 106159795
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
methyl (Z)-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-methylbut-2-enoate
CID 106162226
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol (CID 106159692) is 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol is C=C(C)CCNC(CCO)COC.
What is the InChIKey of 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol?
The InChIKey is WQDYWMDUVJKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)4-6-11-10(5-7-12)8-13-3/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol?
4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol is sourced from PubChem (CID 106159692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).