N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine

C16H21N3O — CID 62253697

IUPACN'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncccc2C)cc1
InChIInChI=1S/C16H21N3O/c1-13-5-3-11-18-16(13)19(12-4-10-17)14-6-8-15(20-2)9-7-14/h3,5-9,11H,4,10,12,17H2,1-2H3
InChIKeyQJLHLNNYJPIQPP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds6

About N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 62253697) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
PubChem CID62253697
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncccc2C)cc1
InChIInChI=1S/C16H21N3O/c1-13-5-3-11-18-16(13)19(12-4-10-17)14-6-8-15(20-2)9-7-14/h3,5-9,11H,4,10,12,17H2,1-2H3
InChIKeyQJLHLNNYJPIQPP-UHFFFAOYSA-N
XLogP2.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine (CID 62253697) is N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine is COc1ccc(N(CCCN)c2ncccc2C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is QJLHLNNYJPIQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-5-3-11-18-16(13)19(12-4-10-17)14-6-8-15(20-2)9-7-14/h3,5-9,11H,4,10,12,17H2,1-2H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 62253697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).