1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine

C14H25N3 — CID 62431481

IUPAC1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-15-9-6-13(3)17(5-2)12-14-7-10-16-11-8-14/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3
InChIKeyXWLPVMVCIZGTJC-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds8

About 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine

1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine (PubChem CID 62431481) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
PubChem CID62431481
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
SMILESCCNCCC(C)N(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-15-9-6-13(3)17(5-2)12-14-7-10-16-11-8-14/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3
InChIKeyXWLPVMVCIZGTJC-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutanehydrazide
CID 79408797
1-N-ethyl-3-N-methyl-3-N-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 62431967
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine (CID 62431481) is 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine is CCNCCC(C)N(CC)Cc1ccncc1.
What is the InChIKey of 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine?
The InChIKey is XWLPVMVCIZGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-15-9-6-13(3)17(5-2)12-14-7-10-16-11-8-14/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3.
What are the key properties of 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine?
1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62431481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).