N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine

C12H19N3O — CID 106504375

IUPACN-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(NCCCNC2CC2)nc1
InChIInChI=1S/C12H19N3O/c1-16-11-5-6-12(15-9-11)14-8-2-7-13-10-3-4-10/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyNEBAVTDWTFITBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds7

About N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine

N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine (PubChem CID 106504375) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
PubChem CID106504375
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(NCCCNC2CC2)nc1
InChIInChI=1S/C12H19N3O/c1-16-11-5-6-12(15-9-11)14-8-2-7-13-10-3-4-10/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyNEBAVTDWTFITBN-UHFFFAOYSA-N
XLogP1.64
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
5-methoxy-N-propylpyridin-2-amine
CID 106503925
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
5-methoxy-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 106504121
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine (CID 106504375) is N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine is COc1ccc(NCCCNC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine?
The InChIKey is NEBAVTDWTFITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-5-6-12(15-9-11)14-8-2-7-13-10-3-4-10/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine?
N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 106504375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).