1-amino-4-methoxybutan-1-ol

C5H13NO2 — CID 57141832

IUPAC1-amino-4-methoxybutan-1-ol
SMILESCOCCCC(N)O
InChIInChI=1S/C5H13NO2/c1-8-4-2-3-5(6)7/h5,7H,2-4,6H2,1H3
InChIKeySHKOEPXTHLTZHC-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.31
Rot. Bonds4

About 1-amino-4-methoxybutan-1-ol

1-amino-4-methoxybutan-1-ol (PubChem CID 57141832) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-amino-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-amino-4-methoxybutan-1-ol
PubChem CID57141832
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-amino-4-methoxybutan-1-ol
SMILESCOCCCC(N)O
InChIInChI=1S/C5H13NO2/c1-8-4-2-3-5(6)7/h5,7H,2-4,6H2,1H3
InChIKeySHKOEPXTHLTZHC-UHFFFAOYSA-N
XLogP-0.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-amino-4-methoxybutan-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

(2S)-5-methoxypentan-2-amine
CID 93315322
2-amino-5-methoxypentanoic acid
CID 18361135
butane-1,3-diol;4-methoxybutan-1-ol
CID 87928957
1-methoxyheptan-4-amine
CID 43370439
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
1-methoxy-7-methyloctan-4-amine
CID 62603924
6-methoxyhex-1-en-3-ol
CID 105108568
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
(5-amino-8-methoxyoctyl)boronic acid
CID 88577036
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxybutan-1-ol?
The IUPAC name of 1-amino-4-methoxybutan-1-ol (CID 57141832) is 1-amino-4-methoxybutan-1-ol.
What is the SMILES notation for 1-amino-4-methoxybutan-1-ol?
The canonical SMILES for 1-amino-4-methoxybutan-1-ol is COCCCC(N)O.
What is the InChIKey of 1-amino-4-methoxybutan-1-ol?
The InChIKey is SHKOEPXTHLTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-8-4-2-3-5(6)7/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-amino-4-methoxybutan-1-ol?
1-amino-4-methoxybutan-1-ol has a molecular weight of 119.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxybutan-1-ol is sourced from PubChem (CID 57141832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).