N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine

C12H18N6 — CID 63152123

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine
SMILESCCN(Cc1ccccc1CN)c1nnnn1C
InChIInChI=1S/C12H18N6/c1-3-18(12-14-15-16-17(12)2)9-11-7-5-4-6-10(11)8-13/h4-7H,3,8-9,13H2,1-2H3
InChIKeyRSEOEZFRWLQCAU-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.70
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine (PubChem CID 63152123) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine
PubChem CID63152123
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine
SMILESCCN(Cc1ccccc1CN)c1nnnn1C
InChIInChI=1S/C12H18N6/c1-3-18(12-14-15-16-17(12)2)9-11-7-5-4-6-10(11)8-13/h4-7H,3,8-9,13H2,1-2H3
InChIKeyRSEOEZFRWLQCAU-UHFFFAOYSA-N
XLogP0.70
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine (CID 63152123) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine is CCN(Cc1ccccc1CN)c1nnnn1C.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine?
The InChIKey is RSEOEZFRWLQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-18(12-14-15-16-17(12)2)9-11-7-5-4-6-10(11)8-13/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine has a molecular weight of 246.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1-methyltetrazol-5-amine is sourced from PubChem (CID 63152123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).