3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol

C9H21NO2 — CID 103377299

IUPAC3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol
SMILESCC(C)(C)C(CN)OCCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)8(7-10)12-6-4-5-11/h8,11H,4-7,10H2,1-3H3
InChIKeyHNSOQKKWVCEQET-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.76
Rot. Bonds5

About 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol

3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol (PubChem CID 103377299) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol
PubChem CID103377299
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol
SMILESCC(C)(C)C(CN)OCCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)8(7-10)12-6-4-5-11/h8,11H,4-7,10H2,1-3H3
InChIKeyHNSOQKKWVCEQET-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.76
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-(2-aminoethoxy)-3,3-dimethylbutan-1-ol
CID 175288171
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
3-hydroxypropoxymethanediol
CID 54044719
2-(2,2,6-trimethylheptan-3-yloxy)ethanol
CID 142712551
3-methyl-2,3-dioctadecoxybutan-1-amine
CID 146317626
2,2-dimethyl-3-pentoxypentane
CID 23119504
2-(cyclopentylmethoxy)-3,3-dimethylbutan-1-amine
CID 66323011
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
butane-1,4-diol;2,2-dimethylpropane-1,1-diol
CID 141408559
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
3-(1-butoxyethoxy)propan-1-ol
CID 54457983

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol (CID 103377299) is 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol is CC(C)(C)C(CN)OCCCO.
What is the InChIKey of 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol?
The InChIKey is HNSOQKKWVCEQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)8(7-10)12-6-4-5-11/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol?
3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 103377299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).