3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine

C15H32N2O — CID 170444194

IUPAC3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESCCCC(C)OCCCNCCN1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-8-15(2)18-14-7-9-16-10-13-17-11-5-4-6-12-17/h15-16H,3-14H2,1-2H3
InChIKeyMLRBWEHMKRWEQJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds10

About 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine

3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine (PubChem CID 170444194) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine
PubChem CID170444194
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESCCCC(C)OCCCNCCN1CCCCC1
InChIInChI=1S/C15H32N2O/c1-3-8-15(2)18-14-7-9-16-10-13-17-11-5-4-6-12-17/h15-16H,3-14H2,1-2H3
InChIKeyMLRBWEHMKRWEQJ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
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-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 55077371
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine (CID 170444194) is 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine is CCCC(C)OCCCNCCN1CCCCC1.
What is the InChIKey of 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The InChIKey is MLRBWEHMKRWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-8-15(2)18-14-7-9-16-10-13-17-11-5-4-6-12-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 170444194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).