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

C18H25N3 — CID 61450895

IUPACN-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)Cc2ccncc2)cc1
InChIInChI=1S/C18H25N3/c1-3-15-5-7-17(8-6-15)18(13-19)21(4-2)14-16-9-11-20-12-10-16/h5-12,18H,3-4,13-14,19H2,1-2H3
InChIKeyAHRFYJDSDFTJRQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.17
Rot. Bonds7

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

N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 61450895) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID61450895
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)Cc2ccncc2)cc1
InChIInChI=1S/C18H25N3/c1-3-15-5-7-17(8-6-15)18(13-19)21(4-2)14-16-9-11-20-12-10-16/h5-12,18H,3-4,13-14,19H2,1-2H3
InChIKeyAHRFYJDSDFTJRQ-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 79426512
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
ethane;4-ethylpyridine
CID 142005045
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 61450895) is N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCc1ccc(C(CN)N(CC)Cc2ccncc2)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is AHRFYJDSDFTJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-15-5-7-17(8-6-15)18(13-19)21(4-2)14-16-9-11-20-12-10-16/h5-12,18H,3-4,13-14,19H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).