N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine

C12H25N5 — CID 62761353

IUPACN-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)CCCC(C)C
InChIInChI=1S/C12H25N5/c1-5-13-9-12-14-15-16-17(12)11(4)8-6-7-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyXWIJKLZYWNRHIA-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.17
Rot. Bonds8

About N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62761353) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62761353
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)CCCC(C)C
InChIInChI=1S/C12H25N5/c1-5-13-9-12-14-15-16-17(12)11(4)8-6-7-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyXWIJKLZYWNRHIA-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine (CID 62761353) is N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)CCCC(C)C.
What is the InChIKey of N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is XWIJKLZYWNRHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-5-13-9-12-14-15-16-17(12)11(4)8-6-7-10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 239.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62761353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).