N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine

C15H32N2O — CID 106453494

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCOCC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-4-7-16-11-15-6-5-8-17(12-15)9-10-18-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyMLSBUXSERHDXMN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds9

About N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine

N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 106453494) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID106453494
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(CCOCC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-4-7-16-11-15-6-5-8-17(12-15)9-10-18-13-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyMLSBUXSERHDXMN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
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-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine (CID 106453494) is N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(CCOCC(C)C)C1.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is MLSBUXSERHDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-7-16-11-15-6-5-8-17(12-15)9-10-18-13-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).