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

C13H21N3O — CID 63992933

IUPACN'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-17-13-5-2-4-11(15-13)10-16(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-10,14H2,1H3
InChIKeyXLFHZPVBDFZHGG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds7

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

N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 63992933) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID63992933
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-17-13-5-2-4-11(15-13)10-16(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-10,14H2,1H3
InChIKeyXLFHZPVBDFZHGG-UHFFFAOYSA-N
XLogP1.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63985516
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
3-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736901
6-[[butyl(cyclopropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79243992
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
CID 63586658
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
6-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909183
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine (CID 63992933) is N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine is COc1cccc(CN(CCCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is XLFHZPVBDFZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-5-2-4-11(15-13)10-16(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-10,14H2,1H3.
What are the key properties of N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).