N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine

C11H23N5 — CID 103086438

IUPACN-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine
SMILESCCC(C)CC(C)n1nnnc1C(C)NC
InChIInChI=1S/C11H23N5/c1-6-8(2)7-9(3)16-11(10(4)12-5)13-14-15-16/h8-10,12H,6-7H2,1-5H3
InChIKeyMGSGODWRCVSEPZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.95
Rot. Bonds6

About N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine (PubChem CID 103086438) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine
PubChem CID103086438
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine
SMILESCCC(C)CC(C)n1nnnc1C(C)NC
InChIInChI=1S/C11H23N5/c1-6-8(2)7-9(3)16-11(10(4)12-5)13-14-15-16/h8-10,12H,6-7H2,1-5H3
InChIKeyMGSGODWRCVSEPZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
N-[1-[1-(1-cyclopropylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085495
N-methyl-1-[1-(2,2,3,3-tetrafluoropropyl)tetrazol-5-yl]ethanamine
CID 106294017
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine (CID 103086438) is N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine is CCC(C)CC(C)n1nnnc1C(C)NC.
What is the InChIKey of N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine?
The InChIKey is MGSGODWRCVSEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-8(2)7-9(3)16-11(10(4)12-5)13-14-15-16/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).