4-methyl-N-(3-propoxypropyl)pyridin-2-amine

C12H20N2O — CID 82943413

IUPAC4-methyl-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1cc(C)ccn1
InChIInChI=1S/C12H20N2O/c1-3-8-15-9-4-6-13-12-10-11(2)5-7-14-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyKLJHEHDDBRDGRD-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.62
Rot. Bonds7

About 4-methyl-N-(3-propoxypropyl)pyridin-2-amine

4-methyl-N-(3-propoxypropyl)pyridin-2-amine (PubChem CID 82943413) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-N-(3-propoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-propoxypropyl)pyridin-2-amine
PubChem CID82943413
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-methyl-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1cc(C)ccn1
InChIInChI=1S/C12H20N2O/c1-3-8-15-9-4-6-13-12-10-11(2)5-7-14-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyKLJHEHDDBRDGRD-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
CID 160709638
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081298
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propoxypropyl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-(3-propoxypropyl)pyridin-2-amine (CID 82943413) is 4-methyl-N-(3-propoxypropyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-propoxypropyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-(3-propoxypropyl)pyridin-2-amine is CCCOCCCNc1cc(C)ccn1.
What is the InChIKey of 4-methyl-N-(3-propoxypropyl)pyridin-2-amine?
The InChIKey is KLJHEHDDBRDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-8-15-9-4-6-13-12-10-11(2)5-7-14-12/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-(3-propoxypropyl)pyridin-2-amine?
4-methyl-N-(3-propoxypropyl)pyridin-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propoxypropyl)pyridin-2-amine is sourced from PubChem (CID 82943413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).