3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine

C16H34N2O — CID 43308556

IUPAC3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCCN1CCCC(C(C)NCCCOC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-10-18-11-6-8-16(13-18)15(4)17-9-7-12-19-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyXKNUWIFCVQTYRD-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine (PubChem CID 43308556) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
PubChem CID43308556
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
SMILESCCCN1CCCC(C(C)NCCCOC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-10-18-11-6-8-16(13-18)15(4)17-9-7-12-19-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyXKNUWIFCVQTYRD-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
N-(oxan-4-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 63726467
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine (CID 43308556) is 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine is CCCN1CCCC(C(C)NCCCOC(C)C)C1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine?
The InChIKey is XKNUWIFCVQTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-18-11-6-8-16(13-18)15(4)17-9-7-12-19-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43308556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).