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

C18H26N4O — CID 19762590

IUPACN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1
InChIInChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3
InChIKeyLAGKZORWQABGEE-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.99
Rot. Bonds9

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

N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine (PubChem CID 19762590) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine
PubChem CID19762590
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1
InChIInChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3
InChIKeyLAGKZORWQABGEE-UHFFFAOYSA-N
XLogP1.99
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine (CID 19762590) is N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine is COc1ccc(CN(CCN(C)CCN)c2ccccn2)cc1.
What is the InChIKey of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is LAGKZORWQABGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(12-10-19)13-14-22(18-5-3-4-11-20-18)15-16-6-8-17(23-2)9-7-16/h3-9,11H,10,12-15,19H2,1-2H3.
What are the key properties of N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine?
N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 19762590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).