1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine

C14H25N3 — CID 54948170

IUPAC1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-3-5-6-14(15)12-17(4-2)11-13-7-9-16-10-8-13/h7-10,14H,3-6,11-12,15H2,1-2H3
InChIKeyWYLLVACYVOZFEY-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.42
Rot. Bonds8

About 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine

1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine (PubChem CID 54948170) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
PubChem CID54948170
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-3-5-6-14(15)12-17(4-2)11-13-7-9-16-10-8-13/h7-10,14H,3-6,11-12,15H2,1-2H3
InChIKeyWYLLVACYVOZFEY-UHFFFAOYSA-N
XLogP2.42
TPSA42.15 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
ethane;1-N-ethyl-4-(5-methyl-3-pyridinyl)-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 145472693
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 55146279
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine (CID 54948170) is 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine is CCCCC(N)CN(CC)Cc1ccncc1.
What is the InChIKey of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine?
The InChIKey is WYLLVACYVOZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-6-14(15)12-17(4-2)11-13-7-9-16-10-8-13/h7-10,14H,3-6,11-12,15H2,1-2H3.
What are the key properties of 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine?
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 54948170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).