N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

C11H25N3 — CID 60890086

IUPACN'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-10(13-7-3-6-12)11-4-8-14(2)9-5-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyFTIIZVKZOAWREN-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.66
Rot. Bonds5

About N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (PubChem CID 60890086) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
PubChem CID60890086
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-10(13-7-3-6-12)11-4-8-14(2)9-5-11/h10-11,13H,3-9,12H2,1-2H3
InChIKeyFTIIZVKZOAWREN-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
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-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
CID 43308231
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (CID 60890086) is N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is CC(NCCCN)C1CCN(C)CC1.
What is the InChIKey of N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is FTIIZVKZOAWREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(13-7-3-6-12)11-4-8-14(2)9-5-11/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60890086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).