6-[(2-propyloxan-4-yl)amino]hexan-1-ol

C14H29NO2 — CID 103991516

IUPAC6-[(2-propyloxan-4-yl)amino]hexan-1-ol
SMILESCCCC1CC(NCCCCCCO)CCO1
InChIInChI=1S/C14H29NO2/c1-2-7-14-12-13(8-11-17-14)15-9-5-3-4-6-10-16/h13-16H,2-12H2,1H3
InChIKeyIYGSAGSMDWKUBC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.48
Rot. Bonds9

About 6-[(2-propyloxan-4-yl)amino]hexan-1-ol

6-[(2-propyloxan-4-yl)amino]hexan-1-ol (PubChem CID 103991516) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-[(2-propyloxan-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-propyloxan-4-yl)amino]hexan-1-ol
PubChem CID103991516
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name6-[(2-propyloxan-4-yl)amino]hexan-1-ol
SMILESCCCC1CC(NCCCCCCO)CCO1
InChIInChI=1S/C14H29NO2/c1-2-7-14-12-13(8-11-17-14)15-9-5-3-4-6-10-16/h13-16H,2-12H2,1H3
InChIKeyIYGSAGSMDWKUBC-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.48
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-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
CID 103991149
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
CID 103991250
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409
4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115439
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
5-[(3,4-dimethylcyclohexyl)amino]pentan-1-ol
CID 64741111

Frequently Asked Questions

What is the IUPAC name of 6-[(2-propyloxan-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-propyloxan-4-yl)amino]hexan-1-ol (CID 103991516) is 6-[(2-propyloxan-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-propyloxan-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-propyloxan-4-yl)amino]hexan-1-ol is CCCC1CC(NCCCCCCO)CCO1.
What is the InChIKey of 6-[(2-propyloxan-4-yl)amino]hexan-1-ol?
The InChIKey is IYGSAGSMDWKUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-7-14-12-13(8-11-17-14)15-9-5-3-4-6-10-16/h13-16H,2-12H2,1H3.
What are the key properties of 6-[(2-propyloxan-4-yl)amino]hexan-1-ol?
6-[(2-propyloxan-4-yl)amino]hexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-propyloxan-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 103991516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).