N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C15H27N3O2 — CID 106045547

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccnc(CNCCCN(C)C(C)C)c1OC
InChIInChI=1S/C15H27N3O2/c1-12(2)18(3)10-6-8-16-11-13-15(20-5)14(19-4)7-9-17-13/h7,9,12,16H,6,8,10-11H2,1-5H3
InChIKeyTWZSDGKJXIBYKM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.92
Rot. Bonds9

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106045547) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106045547
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccnc(CNCCCN(C)C(C)C)c1OC
InChIInChI=1S/C15H27N3O2/c1-12(2)18(3)10-6-8-16-11-13-15(20-5)14(19-4)7-9-17-13/h7,9,12,16H,6,8,10-11H2,1-5H3
InChIKeyTWZSDGKJXIBYKM-UHFFFAOYSA-N
XLogP1.92
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103172692
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(triazol-1-yl)propan-1-amine
CID 103172723
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 103173812
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106415901
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106045547) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is COc1ccnc(CNCCCN(C)C(C)C)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is TWZSDGKJXIBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)18(3)10-6-8-16-11-13-15(20-5)14(19-4)7-9-17-13/h7,9,12,16H,6,8,10-11H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 281.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106045547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).