N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine

C14H30N2O2 — CID 103178774

IUPACN-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCOCCCOCCNC(C)CN1CCCCC1
InChIInChI=1S/C14H30N2O2/c1-14(13-16-8-4-3-5-9-16)15-7-12-18-11-6-10-17-2/h14-15H,3-13H2,1-2H3
InChIKeyNCXABHNNQXTYMC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine

N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 103178774) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID103178774
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCOCCCOCCNC(C)CN1CCCCC1
InChIInChI=1S/C14H30N2O2/c1-14(13-16-8-4-3-5-9-16)15-7-12-18-11-6-10-17-2/h14-15H,3-13H2,1-2H3
InChIKeyNCXABHNNQXTYMC-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 106451807
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
CID 103179557

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 103178774) is N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine is COCCCOCCNC(C)CN1CCCCC1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is NCXABHNNQXTYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(13-16-8-4-3-5-9-16)15-7-12-18-11-6-10-17-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 103178774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).