1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C18H25N3 — CID 61450976

IUPAC1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C18H25N3/c1-4-21(12-16-7-9-20-10-8-16)13-18(19)17-11-14(2)5-6-15(17)3/h5-11,18H,4,12-13,19H2,1-3H3
InChIKeyCVYJADYDJDBZSR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 61450976) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID61450976
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C18H25N3/c1-4-21(12-16-7-9-20-10-8-16)13-18(19)17-11-14(2)5-6-15(17)3/h5-11,18H,4,12-13,19H2,1-3H3
InChIKeyCVYJADYDJDBZSR-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 107520253
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 63470194
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
ethane;1-N-ethyl-4-(5-methyl-3-pyridinyl)-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 145472693
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 61450976) is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)CC(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is CVYJADYDJDBZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-21(12-16-7-9-20-10-8-16)13-18(19)17-11-14(2)5-6-15(17)3/h5-11,18H,4,12-13,19H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).