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

C10H17N3O — CID 21271684

IUPACN'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1ncccc1CNCCCN
InChIInChI=1S/C10H17N3O/c1-14-10-9(4-2-7-13-10)8-12-6-3-5-11/h2,4,7,12H,3,5-6,8,11H2,1H3
InChIKeyPKNXTGWLJBGJDW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds6

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

N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 21271684) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
PubChem CID21271684
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1ncccc1CNCCCN
InChIInChI=1S/C10H17N3O/c1-14-10-9(4-2-7-13-10)8-12-6-3-5-11/h2,4,7,12H,3,5-6,8,11H2,1H3
InChIKeyPKNXTGWLJBGJDW-UHFFFAOYSA-N
XLogP0.53
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-chloro-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]butan-1-amine
CID 106242391
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400363
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine (CID 21271684) is N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine is COc1ncccc1CNCCCN.
What is the InChIKey of N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is PKNXTGWLJBGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-10-9(4-2-7-13-10)8-12-6-3-5-11/h2,4,7,12H,3,5-6,8,11H2,1H3.
What are the key properties of N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine?
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 21271684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).