2-(4-methoxybutylamino)-3-methylbutan-1-ol

C10H23NO2 — CID 104647484

IUPAC2-(4-methoxybutylamino)-3-methylbutan-1-ol
SMILESCOCCCCNC(CO)C(C)C
InChIInChI=1S/C10H23NO2/c1-9(2)10(8-12)11-6-4-5-7-13-3/h9-12H,4-8H2,1-3H3
InChIKeyPDVRIHKTQUOBBA-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds8

About 2-(4-methoxybutylamino)-3-methylbutan-1-ol

2-(4-methoxybutylamino)-3-methylbutan-1-ol (PubChem CID 104647484) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-3-methylbutan-1-ol
PubChem CID104647484
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(4-methoxybutylamino)-3-methylbutan-1-ol
SMILESCOCCCCNC(CO)C(C)C
InChIInChI=1S/C10H23NO2/c1-9(2)10(8-12)11-6-4-5-7-13-3/h9-12H,4-8H2,1-3H3
InChIKeyPDVRIHKTQUOBBA-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
5-methoxy-N-(3-methylbutan-2-yl)pentan-1-amine
CID 103779817
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(4-methoxybutylamino)-3-methylbutan-1-ol (CID 104647484) is 2-(4-methoxybutylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(4-methoxybutylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(4-methoxybutylamino)-3-methylbutan-1-ol is COCCCCNC(CO)C(C)C.
What is the InChIKey of 2-(4-methoxybutylamino)-3-methylbutan-1-ol?
The InChIKey is PDVRIHKTQUOBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2)10(8-12)11-6-4-5-7-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-(4-methoxybutylamino)-3-methylbutan-1-ol?
2-(4-methoxybutylamino)-3-methylbutan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 104647484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).