N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C14H25N3 — CID 62553729

IUPACN-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-3-5-8-15-11-12-17(4-2)13-14-6-9-16-10-7-14/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3
InChIKeyJHQYTITUDAGHAX-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds9

About N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62553729) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62553729
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-3-5-8-15-11-12-17(4-2)13-14-6-9-16-10-7-14/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3
InChIKeyJHQYTITUDAGHAX-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
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'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430423
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-ethyl-N'-(pyridin-4-ylmethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62555381
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554058
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62553729) is N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCCCNCCN(CC)Cc1ccncc1.
What is the InChIKey of N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is JHQYTITUDAGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-8-15-11-12-17(4-2)13-14-6-9-16-10-7-14/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3.
What are the key properties of N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62553729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).