N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine

C11H19N3S — CID 115908125

IUPACN-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESCCC1(CNCc2csnn2)CCCC1
InChIInChI=1S/C11H19N3S/c1-2-11(5-3-4-6-11)9-12-7-10-8-15-14-13-10/h8,12H,2-7,9H2,1H3
InChIKeyRGNJYTXPMLXBMR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine

N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine (PubChem CID 115908125) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
PubChem CID115908125
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESCCC1(CNCc2csnn2)CCCC1
InChIInChI=1S/C11H19N3S/c1-2-11(5-3-4-6-11)9-12-7-10-8-15-14-13-10/h8,12H,2-7,9H2,1H3
InChIKeyRGNJYTXPMLXBMR-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908300
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
N-[(1-ethylcyclopentyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 103768740
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
CID 130550088
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
CID 130708786
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine (CID 115908125) is N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine is CCC1(CNCc2csnn2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The InChIKey is RGNJYTXPMLXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-11(5-3-4-6-11)9-12-7-10-8-15-14-13-10/h8,12H,2-7,9H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine?
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 115908125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).