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

C14H30N2O — CID 106451807

IUPACN-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(C)COCCNC(C)CN1CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-17-10-7-15-14(3)11-16-8-5-4-6-9-16/h13-15H,4-12H2,1-3H3
InChIKeyGXPLBYDAZONHAI-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

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

N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 106451807) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID106451807
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(C)COCCNC(C)CN1CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-17-10-7-15-14(3)11-16-8-5-4-6-9-16/h13-15H,4-12H2,1-3H3
InChIKeyGXPLBYDAZONHAI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401004
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 106451807) is N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine is CC(C)COCCNC(C)CN1CCCCC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is GXPLBYDAZONHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)12-17-10-7-15-14(3)11-16-8-5-4-6-9-16/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 106451807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).