3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol

C12H27NO2 — CID 114358012

IUPAC3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol
SMILESCC(C)CCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)6-7-15-10(8-14)11(13)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3
InChIKeyRZEYXCQEMDTJLI-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.78
Rot. Bonds6

About 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol

3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol (PubChem CID 114358012) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol
PubChem CID114358012
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol
SMILESCC(C)CCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)6-7-15-10(8-14)11(13)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3
InChIKeyRZEYXCQEMDTJLI-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106447308
3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
CID 114358200
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
3-amino-2-(2-hydroxyethoxy)butan-1-ol
CID 134265576
N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444012
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
CID 114358290
3-methylbutoxymethanediol
CID 54490534
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
3-amino-2-(3,5-dimethoxyphenoxy)-4,4-dimethylpentan-1-ol
CID 114358190
3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol (CID 114358012) is 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol is CC(C)CCOC(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol?
The InChIKey is RZEYXCQEMDTJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)6-7-15-10(8-14)11(13)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol?
3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(3-methylbutoxy)pentan-1-ol is sourced from PubChem (CID 114358012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).