N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C15H27N3O — CID 79661676

IUPACN'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cccc(OC)n1)CC(C)(C)CN
InChIInChI=1S/C15H27N3O/c1-5-9-18(12-15(2,3)11-16)10-13-7-6-8-14(17-13)19-4/h6-8H,5,9-12,16H2,1-4H3
InChIKeyMNQVJJPZRVCOMN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds8

About N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79661676) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79661676
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cccc(OC)n1)CC(C)(C)CN
InChIInChI=1S/C15H27N3O/c1-5-9-18(12-15(2,3)11-16)10-13-7-6-8-14(17-13)19-4/h6-8H,5,9-12,16H2,1-4H3
InChIKeyMNQVJJPZRVCOMN-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79661676) is N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cccc(OC)n1)CC(C)(C)CN.
What is the InChIKey of N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is MNQVJJPZRVCOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-18(12-15(2,3)11-16)10-13-7-6-8-14(17-13)19-4/h6-8H,5,9-12,16H2,1-4H3.
What are the key properties of N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).