4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

C12H23N3S — CID 105140099

IUPAC4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cnsn1
InChIInChI=1S/C12H23N3S/c1-5-8-13-10(6-7-12(2,3)4)11-9-14-16-15-11/h9-10,13H,5-8H2,1-4H3
InChIKeyHJVATUILAFLNSD-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.41
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine

4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (PubChem CID 105140099) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
PubChem CID105140099
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cnsn1
InChIInChI=1S/C12H23N3S/c1-5-8-13-10(6-7-12(2,3)4)11-9-14-16-15-11/h9-10,13H,5-8H2,1-4H3
InChIKeyHJVATUILAFLNSD-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
N-[2-(5-bromo-2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105110384

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine (CID 105140099) is 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is CCCNC(CCC(C)(C)C)c1cnsn1.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
The InChIKey is HJVATUILAFLNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-8-13-10(6-7-12(2,3)4)11-9-14-16-15-11/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine?
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine is sourced from PubChem (CID 105140099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).