N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride

C18H27ClN4 — CID 120844370

IUPACN'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
SMILESCCN(C)c1ccc(CN(CCN)Cc2ccccc2)cn1.Cl
InChIInChI=1S/C18H26N4.ClH/c1-3-21(2)18-10-9-17(13-20-18)15-22(12-11-19)14-16-7-5-4-6-8-16;/h4-10,13H,3,11-12,14-15,19H2,1-2H3;1H
InChIKeyJDVBWMYFEONGKN-UHFFFAOYSA-N
MW334.90 g/mol
LogP2.92
Rot. Bonds8

About N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride

N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120844370) has the molecular formula C18H27ClN4 and a molecular weight of 334.90 g/mol. Its IUPAC name is N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120844370
Molecular FormulaC18H27ClN4
Molecular Weight334.90 g/mol
Exact Mass334.19
IUPAC NameN'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
SMILESCCN(C)c1ccc(CN(CCN)Cc2ccccc2)cn1.Cl
InChIInChI=1S/C18H26N4.ClH/c1-3-21(2)18-10-9-17(13-20-18)15-22(12-11-19)14-16-7-5-4-6-8-16;/h4-10,13H,3,11-12,14-15,19H2,1-2H3;1H
InChIKeyJDVBWMYFEONGKN-UHFFFAOYSA-N
XLogP2.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844295
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
2-[6-[benzyl(methyl)amino]-3-pyridinyl]ethanol
CID 102546707
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 130600119
N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844372

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride (CID 120844370) is N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride is CCN(C)c1ccc(CN(CCN)Cc2ccccc2)cn1.Cl.
What is the InChIKey of N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is JDVBWMYFEONGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.ClH/c1-3-21(2)18-10-9-17(13-20-18)15-22(12-11-19)14-16-7-5-4-6-8-16;/h4-10,13H,3,11-12,14-15,19H2,1-2H3;1H.
What are the key properties of N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride?
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 334.90 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120844370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).