2-amino-5-butoxy-2-methylpentan-1-ol

C10H23NO2 — CID 64807302

IUPAC2-amino-5-butoxy-2-methylpentan-1-ol
SMILESCCCCOCCCC(C)(N)CO
InChIInChI=1S/C10H23NO2/c1-3-4-7-13-8-5-6-10(2,11)9-12/h12H,3-9,11H2,1-2H3
InChIKeySFWSMIQLHRMXGM-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.29
Rot. Bonds8

About 2-amino-5-butoxy-2-methylpentan-1-ol

2-amino-5-butoxy-2-methylpentan-1-ol (PubChem CID 64807302) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-amino-5-butoxy-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-butoxy-2-methylpentan-1-ol
PubChem CID64807302
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-amino-5-butoxy-2-methylpentan-1-ol
SMILESCCCCOCCCC(C)(N)CO
InChIInChI=1S/C10H23NO2/c1-3-4-7-13-8-5-6-10(2,11)9-12/h12H,3-9,11H2,1-2H3
InChIKeySFWSMIQLHRMXGM-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 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 ≤ 51.29
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

(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
CID 103407415
2-amino-2-methylhexadecan-1-ol
CID 87201246
2-amino-2-methyl-3-octoxypropan-1-ol
CID 64811655
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
2-amino-4-(2-methoxyethoxy)-2-methylbutan-1-ol
CID 64804049
2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
CID 102988227
2-methyl-1,3-dioctoxypropan-2-amine
CID 142136398
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butoxy-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-butoxy-2-methylpentan-1-ol (CID 64807302) is 2-amino-5-butoxy-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-butoxy-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-butoxy-2-methylpentan-1-ol is CCCCOCCCC(C)(N)CO.
What is the InChIKey of 2-amino-5-butoxy-2-methylpentan-1-ol?
The InChIKey is SFWSMIQLHRMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-4-7-13-8-5-6-10(2,11)9-12/h12H,3-9,11H2,1-2H3.
What are the key properties of 2-amino-5-butoxy-2-methylpentan-1-ol?
2-amino-5-butoxy-2-methylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butoxy-2-methylpentan-1-ol is sourced from PubChem (CID 64807302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).