N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine

C14H19N3S — CID 105100685

IUPACN-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(C)nnc1C
InChIInChI=1S/C14H19N3S/c1-4-7-15-14(13-6-5-8-18-13)12-9-10(2)16-17-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyOBLNPVCDGFKMRV-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds5

About N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 105100685) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID105100685
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cc(C)nnc1C
InChIInChI=1S/C14H19N3S/c1-4-7-15-14(13-6-5-8-18-13)12-9-10(2)16-17-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyOBLNPVCDGFKMRV-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[(3,6-dimethylpyridazin-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143284
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 105100685) is N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is OBLNPVCDGFKMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-7-15-14(13-6-5-8-18-13)12-9-10(2)16-17-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 105100685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).