2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol

C10H21NO2 — CID 91132271

IUPAC2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
SMILESCC(C)(CO)CC(C)(C)NC1CO1
InChIInChI=1S/C10H21NO2/c1-9(2,7-12)6-10(3,4)11-8-5-13-8/h8,11-12H,5-7H2,1-4H3
InChIKeyQGANFSYNGZGOKR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.12
Rot. Bonds5

About 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol

2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol (PubChem CID 91132271) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
PubChem CID91132271
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
SMILESCC(C)(CO)CC(C)(C)NC1CO1
InChIInChI=1S/C10H21NO2/c1-9(2,7-12)6-10(3,4)11-8-5-13-8/h8,11-12H,5-7H2,1-4H3
InChIKeyQGANFSYNGZGOKR-UHFFFAOYSA-N
XLogP1.12
TPSA44.79 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)oxetan-2-amine
CID 123451073
(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
CID 88951304
3-N'-(2-methylpentan-2-yl)-3-N-(oxiran-2-yl)pentane-3,3-diamine
CID 155236663
4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol
CID 91130970
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
(2S,3S)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)oxolan-3-amine
CID 97358634
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
2,2,4,4-tetramethyl-5-sulfanylpentan-1-ol
CID 88863365
3-methyl-N-(2,4,4-trimethylhexan-2-yl)oxiran-2-amine
CID 146384373
5,5,5-triiodo-2,2,4,4-tetramethylpentan-1-ol
CID 130441965

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol?
The IUPAC name of 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol (CID 91132271) is 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol?
The canonical SMILES for 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol is CC(C)(CO)CC(C)(C)NC1CO1.
What is the InChIKey of 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol?
The InChIKey is QGANFSYNGZGOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,7-12)6-10(3,4)11-8-5-13-8/h8,11-12H,5-7H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol?
2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol is sourced from PubChem (CID 91132271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).