N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine

C14H25N3OS — CID 80620557

IUPACN-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(OC2CCCCCC2)s1
InChIInChI=1S/C14H25N3OS/c1-11(2)9-15-10-13-16-17-14(19-13)18-12-7-5-3-4-6-8-12/h11-12,15H,3-10H2,1-2H3
InChIKeyHPRLMWREBQOILE-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.39
Rot. Bonds6

About N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 80620557) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID80620557
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(OC2CCCCCC2)s1
InChIInChI=1S/C14H25N3OS/c1-11(2)9-15-10-13-16-17-14(19-13)18-12-7-5-3-4-6-8-12/h11-12,15H,3-10H2,1-2H3
InChIKeyHPRLMWREBQOILE-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine (CID 80620557) is N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnc(OC2CCCCCC2)s1.
What is the InChIKey of N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is HPRLMWREBQOILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(2)9-15-10-13-16-17-14(19-13)18-12-7-5-3-4-6-8-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80620557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).