N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine

C17H25N3S — CID 62279602

IUPACN,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(C)Cc1ccsc1
InChIInChI=1S/C17H25N3S/c1-5-7-18-10-16-13(2)9-14(3)19-17(16)20(4)11-15-6-8-21-12-15/h6,8-9,12,18H,5,7,10-11H2,1-4H3
InChIKeyOTOKHINQGKORIT-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.90
Rot. Bonds7

About N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine

N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 62279602) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID62279602
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCCCNCc1c(C)cc(C)nc1N(C)Cc1ccsc1
InChIInChI=1S/C17H25N3S/c1-5-7-18-10-16-13(2)9-14(3)19-17(16)20(4)11-15-6-8-21-12-15/h6,8-9,12,18H,5,7,10-11H2,1-4H3
InChIKeyOTOKHINQGKORIT-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)-N,4,6-trimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279601
N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279603
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N,4,6-trimethyl-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 115987724
2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986272
3-(ethylaminomethyl)-N,4,6-trimethyl-N-(2-methylpropyl)pyridin-2-amine
CID 62279212
N,4,6-trimethyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279387
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-(2-methoxyethyl)-4,6-dimethyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 82941710
6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986270
N,4,6-trimethyl-3-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 62282505
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 62279602) is N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine is CCCNCc1c(C)cc(C)nc1N(C)Cc1ccsc1.
What is the InChIKey of N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is OTOKHINQGKORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-7-18-10-16-13(2)9-14(3)19-17(16)20(4)11-15-6-8-21-12-15/h6,8-9,12,18H,5,7,10-11H2,1-4H3.
What are the key properties of N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine?
N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62279602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).