N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine

C13H27N5 — CID 107818243

IUPACN-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCCCCC(C)C
InChIInChI=1S/C13H27N5/c1-11(2)9-7-5-6-8-10-18-13(12(3)14-4)15-16-17-18/h11-12,14H,5-10H2,1-4H3
InChIKeyKNJHDHNRPSERQP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.56
Rot. Bonds9

About N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine (PubChem CID 107818243) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
PubChem CID107818243
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC NameN-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCCCCC(C)C
InChIInChI=1S/C13H27N5/c1-11(2)9-7-5-6-8-10-18-13(12(3)14-4)15-16-17-18/h11-12,14H,5-10H2,1-4H3
InChIKeyKNJHDHNRPSERQP-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
CID 103086706
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
CID 103086701
1-[1-(3-cyclopropylpropyl)tetrazol-5-yl]-N-methylethanamine
CID 103087035
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
5-(chloromethyl)-1-(5-methylhexyl)tetrazole
CID 115326686
1-pentyl-5-propan-2-yltetrazole
CID 69031680
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
CID 106294017
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine (CID 107818243) is N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1CCCCCCC(C)C.
What is the InChIKey of N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine?
The InChIKey is KNJHDHNRPSERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-11(2)9-7-5-6-8-10-18-13(12(3)14-4)15-16-17-18/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 107818243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).