4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol

C12H27NO2 — CID 106147209

IUPAC4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
SMILESCC(C)OCCNCC(C)(C)CCCO
InChIInChI=1S/C12H27NO2/c1-11(2)15-9-7-13-10-12(3,4)6-5-8-14/h11,13-14H,5-10H2,1-4H3
InChIKeyFAYMVVSHASQAKR-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds9

About 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol

4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol (PubChem CID 106147209) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
PubChem CID106147209
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
SMILESCC(C)OCCNCC(C)(C)CCCO
InChIInChI=1S/C12H27NO2/c1-11(2)15-9-7-13-10-12(3,4)6-5-8-14/h11,13-14H,5-10H2,1-4H3
InChIKeyFAYMVVSHASQAKR-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
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

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
2-ethoxy-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 114941802
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol (CID 106147209) is 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol is CC(C)OCCNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol?
The InChIKey is FAYMVVSHASQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2)15-9-7-13-10-12(3,4)6-5-8-14/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol?
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol is sourced from PubChem (CID 106147209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).