N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C12H25N5O — CID 103085783

IUPACN-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C12H25N5O/c1-6-18-8-10(4)17-12(14-15-16-17)11(5)13-7-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKeyBPGLYUPVUJLXPV-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.58
Rot. Bonds8

About N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085783) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085783
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C12H25N5O/c1-6-18-8-10(4)17-12(14-15-16-17)11(5)13-7-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKeyBPGLYUPVUJLXPV-UHFFFAOYSA-N
XLogP1.58
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085250
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
2-methyl-N-[1-[1-(1-thiophen-2-ylbutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085714
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103086393
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085783) is N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is CCOCC(C)n1nnnc1C(C)NCC(C)C.
What is the InChIKey of N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is BPGLYUPVUJLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-6-18-8-10(4)17-12(14-15-16-17)11(5)13-7-9(2)3/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).