N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine

C11H19N3 — CID 79739974

IUPACN'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCCc1ccc(CNCCCN)nc1
InChIInChI=1S/C11H19N3/c1-2-10-4-5-11(14-8-10)9-13-7-3-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3
InChIKeyHXXXTUXALVUJMX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.08
Rot. Bonds6

About N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine

N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 79739974) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID79739974
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCCc1ccc(CNCCCN)nc1
InChIInChI=1S/C11H19N3/c1-2-10-4-5-11(14-8-10)9-13-7-3-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3
InChIKeyHXXXTUXALVUJMX-UHFFFAOYSA-N
XLogP1.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.08
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'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
CID 143966477
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
CID 57064348
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
CID 105409110

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine (CID 79739974) is N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine is CCc1ccc(CNCCCN)nc1.
What is the InChIKey of N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is HXXXTUXALVUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-10-4-5-11(14-8-10)9-13-7-3-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3.
What are the key properties of N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine?
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79739974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).