N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine

C11H23N5 — CID 103085598

IUPACN-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
SMILESCCCC(CC)n1nnnc1C(C)NCC
InChIInChI=1S/C11H23N5/c1-5-8-10(6-2)16-11(13-14-15-16)9(4)12-7-3/h9-10,12H,5-8H2,1-4H3
InChIKeySMYCMVMQFLSNDW-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.09
Rot. Bonds7

About N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine

N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine (PubChem CID 103085598) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
PubChem CID103085598
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
SMILESCCCC(CC)n1nnnc1C(C)NCC
InChIInChI=1S/C11H23N5/c1-5-8-10(6-2)16-11(13-14-15-16)9(4)12-7-3/h9-10,12H,5-8H2,1-4H3
InChIKeySMYCMVMQFLSNDW-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-ethyl-1-[1-(2-ethylbutyl)tetrazol-5-yl]ethanamine
CID 103087026
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103086393
N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
CID 103085799
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944
1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085373
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine (CID 103085598) is N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine is CCCC(CC)n1nnnc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine?
The InChIKey is SMYCMVMQFLSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-8-10(6-2)16-11(13-14-15-16)9(4)12-7-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine?
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine is sourced from PubChem (CID 103085598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).