N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine

C13H28N2 — CID 63854669

IUPACN-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
SMILESCCCCCN1CCCCC1C(C)NC
InChIInChI=1S/C13H28N2/c1-4-5-7-10-15-11-8-6-9-13(15)12(2)14-3/h12-14H,4-11H2,1-3H3
InChIKeyZZYDOIXSHQVJPR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

About N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine

N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine (PubChem CID 63854669) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
PubChem CID63854669
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
SMILESCCCCCN1CCCCC1C(C)NC
InChIInChI=1S/C13H28N2/c1-4-5-7-10-15-11-8-6-9-13(15)12(2)14-3/h12-14H,4-11H2,1-3H3
InChIKeyZZYDOIXSHQVJPR-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701936
1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
CID 104646713
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121
N,N-dimethyl-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256664
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114491238
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
2-methyl-1-pentylazepane
CID 134994557
1-hexylpiperidine-2-carbaldehyde
CID 62655866
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
1-heptylpiperidine-2-carbaldehyde
CID 62655864

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine (CID 63854669) is N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine is CCCCCN1CCCCC1C(C)NC.
What is the InChIKey of N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine?
The InChIKey is ZZYDOIXSHQVJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-5-7-10-15-11-8-6-9-13(15)12(2)14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine?
N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 63854669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).