N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine

C15H32N2O — CID 55090257

IUPACN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCN1CCCC(C)C1C
InChIInChI=1S/C15H32N2O/c1-13(2)18-12-6-8-16-9-11-17-10-5-7-14(3)15(17)4/h13-16H,5-12H2,1-4H3
InChIKeyUKSGFNOBJULICO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 55090257) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID55090257
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCN1CCCC(C)C1C
InChIInChI=1S/C15H32N2O/c1-13(2)18-12-6-8-16-9-11-17-10-5-7-14(3)15(17)4/h13-16H,5-12H2,1-4H3
InChIKeyUKSGFNOBJULICO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62559187
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 62561600
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090112
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
CID 62123783
N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
CID 63115886
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine (CID 55090257) is N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCN1CCCC(C)C1C.
What is the InChIKey of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is UKSGFNOBJULICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)18-12-6-8-16-9-11-17-10-5-7-14(3)15(17)4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 55090257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).