N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

C18H25N3 — CID 62612946

IUPACN'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H25N3/c1-3-21(15-16-9-12-20-13-10-16)14-11-18(19-2)17-7-5-4-6-8-17/h4-10,12-13,18-19H,3,11,14-15H2,1-2H3
InChIKeyXEOLVKZYABNPQV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.25
Rot. Bonds8

About N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 62612946) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID62612946
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H25N3/c1-3-21(15-16-9-12-20-13-10-16)14-11-18(19-2)17-7-5-4-6-8-17/h4-10,12-13,18-19H,3,11,14-15H2,1-2H3
InChIKeyXEOLVKZYABNPQV-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-ethyl-N-(2-fluorophenyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554058
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-N-ethyl-4,4-dimethyl-3-N-propyl-1-N-(pyridin-4-ylmethyl)pentane-1,3-diamine
CID 62623357
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 62612946) is N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CCN(CCC(NC)c1ccccc1)Cc1ccncc1.
What is the InChIKey of N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is XEOLVKZYABNPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-21(15-16-9-12-20-13-10-16)14-11-18(19-2)17-7-5-4-6-8-17/h4-10,12-13,18-19H,3,11,14-15H2,1-2H3.
What are the key properties of N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62612946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).