N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine

C12H26N6S — CID 114526814

IUPACN-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCn1nnnc1SCCCN(C)C
InChIInChI=1S/C12H26N6S/c1-11(2)10-13-6-8-18-12(14-15-16-18)19-9-5-7-17(3)4/h11,13H,5-10H2,1-4H3
InChIKeyMROMZMZKULHPFP-UHFFFAOYSA-N
MW286.45 g/mol
LogP0.96
Rot. Bonds10

About N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine

N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 114526814) has the molecular formula C12H26N6S and a molecular weight of 286.45 g/mol. Its IUPAC name is N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
PubChem CID114526814
Molecular FormulaC12H26N6S
Molecular Weight286.45 g/mol
Exact Mass286.19
IUPAC NameN-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCn1nnnc1SCCCN(C)C
InChIInChI=1S/C12H26N6S/c1-11(2)10-13-6-8-18-12(14-15-16-18)19-9-5-7-17(3)4/h11,13H,5-10H2,1-4H3
InChIKeyMROMZMZKULHPFP-UHFFFAOYSA-N
XLogP0.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
2-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylacetaldehyde
CID 173388790
N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 113474390
2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
CID 79172516
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
[1-[3-(dimethylamino)propyl]tetrazol-5-yl]sulfanylmethylcarbamic acid
CID 54203893
N,N-dimethyl-2-[5-(methylsulfanylmethylsulfanyl)tetrazol-1-yl]ethanamine
CID 146534310
2-[5-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]disulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 144687362
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)butan-1-amine
CID 63516480

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine (CID 114526814) is N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCn1nnnc1SCCCN(C)C.
What is the InChIKey of N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is MROMZMZKULHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6S/c1-11(2)10-13-6-8-18-12(14-15-16-18)19-9-5-7-17(3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 286.45 g/mol, XLogP of 0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114526814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).