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

C12H21N3O — CID 106155329

IUPACN'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
SMILESCOc1cccnc1NCCCC(C)CN
InChIInChI=1S/C12H21N3O/c1-10(9-13)5-3-7-14-12-11(16-2)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeySSRDPVNKQBYQNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds7

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

N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine (PubChem CID 106155329) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
PubChem CID106155329
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
SMILESCOc1cccnc1NCCCC(C)CN
InChIInChI=1S/C12H21N3O/c1-10(9-13)5-3-7-14-12-11(16-2)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeySSRDPVNKQBYQNL-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
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

5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine (CID 106155329) is N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine is COc1cccnc1NCCCC(C)CN.
What is the InChIKey of N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine?
The InChIKey is SSRDPVNKQBYQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(9-13)5-3-7-14-12-11(16-2)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15).
What are the key properties of N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine?
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 106155329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).