1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol

C12H25NO2 — CID 66323159

IUPAC1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCOCC1CCCC1
InChIInChI=1S/C12H25NO2/c1-12(14,10-13)7-4-8-15-9-11-5-2-3-6-11/h11,14H,2-10,13H2,1H3
InChIKeyDLANYZYDBJZFQI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds7

About 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol

1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol (PubChem CID 66323159) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol
PubChem CID66323159
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCOCC1CCCC1
InChIInChI=1S/C12H25NO2/c1-12(14,10-13)7-4-8-15-9-11-5-2-3-6-11/h11,14H,2-10,13H2,1H3
InChIKeyDLANYZYDBJZFQI-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
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

3-(Aminomethyl)-6-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 106811524
3-(Aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572
3-(Aminomethyl)-6-(2,2,3,3,3-pentafluoropropoxy)hexan-3-ol
CID 106811574
3-(Aminomethyl)-6-(2,2-difluoroethoxy)hexan-3-ol
CID 106811580
3-(Aminomethyl)-6-(3,3,3-trifluoropropoxy)hexan-3-ol
CID 106811581
3-(Aminomethyl)-6-(2,2,3,3-tetrafluoropropoxy)hexan-3-ol
CID 113879723
3-(Aminomethyl)-6-(4,4,4-trifluorobutoxy)hexan-3-ol
CID 113879738
4-(Aminomethyl)hexane-1,4-diol
CID 45791284
1-Amino-6-(1-ethylcyclopentyl)oxyhexan-3-ol
CID 90005018
2-Amino-1-(2,2-dimethyloxan-4-yl)ethanol
CID 13860590
(4R)-4-(aminomethyl)hexane-1,4-diol
CID 52177450
(4S)-4-(aminomethyl)hexane-1,4-diol
CID 52177452

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol (CID 66323159) is 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol is CC(O)(CN)CCCOCC1CCCC1.
What is the InChIKey of 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol?
The InChIKey is DLANYZYDBJZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(14,10-13)7-4-8-15-9-11-5-2-3-6-11/h11,14H,2-10,13H2,1H3.
What are the key properties of 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol?
1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(cyclopentylmethoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 66323159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).