5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol

C13H27NO2 — CID 107302829

IUPAC5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
SMILESCC(C)C1CC(NCCCCCO)CCO1
InChIInChI=1S/C13H27NO2/c1-11(2)13-10-12(6-9-16-13)14-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3
InChIKeyPHGYGOGTIHQOQH-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol

5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol (PubChem CID 107302829) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
PubChem CID107302829
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
SMILESCC(C)C1CC(NCCCCCO)CCO1
InChIInChI=1S/C13H27NO2/c1-11(2)13-10-12(6-9-16-13)14-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3
InChIKeyPHGYGOGTIHQOQH-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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

6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
CID 115359250
2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
CID 83209461
N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 112559573
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
N-tert-butyl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 115914511
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
CID 104980788
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 103931537
2-[[(2-propan-2-yloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928884
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol (CID 107302829) is 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol is CC(C)C1CC(NCCCCCO)CCO1.
What is the InChIKey of 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol?
The InChIKey is PHGYGOGTIHQOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)13-10-12(6-9-16-13)14-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3.
What are the key properties of 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol?
5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 107302829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).