N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine

C17H24N4 — CID 143629280

IUPACN'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)CCNc2ccccn2)cc1
InChIInChI=1S/C17H24N4/c1-15-5-7-16(8-6-15)14-21(12-9-18)13-11-20-17-4-2-3-10-19-17/h2-8,10H,9,11-14,18H2,1H3,(H,19,20)
InChIKeyLCTMWMWYHHZYNJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.26
Rot. Bonds8

About N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine

N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine (PubChem CID 143629280) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine
PubChem CID143629280
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)CCNc2ccccn2)cc1
InChIInChI=1S/C17H24N4/c1-15-5-7-16(8-6-15)14-21(12-9-18)13-11-20-17-4-2-3-10-19-17/h2-8,10H,9,11-14,18H2,1H3,(H,19,20)
InChIKeyLCTMWMWYHHZYNJ-UHFFFAOYSA-N
XLogP2.26
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N'-pyridin-2-ylmethanediamine
CID 115225472
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-butylpyridin-2-amine
CID 14322668

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine (CID 143629280) is N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine is Cc1ccc(CN(CCN)CCNc2ccccn2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine?
The InChIKey is LCTMWMWYHHZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-15-5-7-16(8-6-15)14-21(12-9-18)13-11-20-17-4-2-3-10-19-17/h2-8,10H,9,11-14,18H2,1H3,(H,19,20).
What are the key properties of N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine?
N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N'-[2-(pyridin-2-ylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 143629280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).