2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol

C10H21NO2 — CID 79360440

IUPAC2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
SMILESCC(C)(O)CCNCC1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12)4-5-11-7-9-3-6-13-8-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNCKNRKDZYFNXTQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds5

About 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol

2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol (PubChem CID 79360440) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
PubChem CID79360440
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
SMILESCC(C)(O)CCNCC1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12)4-5-11-7-9-3-6-13-8-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNCKNRKDZYFNXTQ-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
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

2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
4-(cyclobutylmethylamino)-2-methylbutan-2-ol
CID 79359922
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
CID 66170060
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol (CID 79360440) is 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol is CC(C)(O)CCNCC1CCOC1.
What is the InChIKey of 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol?
The InChIKey is NCKNRKDZYFNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,12)4-5-11-7-9-3-6-13-8-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol?
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol is sourced from PubChem (CID 79360440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).