N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine

C14H20N6 — CID 64927678

IUPACN-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
SMILESNC1CCCCC1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6/c15-13-9-5-4-6-11(13)10-16-14-17-18-19-20(14)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17,19)
InChIKeyGQLOOAZPYHZYKD-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.59
Rot. Bonds4

About N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine

N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 64927678) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
PubChem CID64927678
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
SMILESNC1CCCCC1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6/c15-13-9-5-4-6-11(13)10-16-14-17-18-19-20(14)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17,19)
InChIKeyGQLOOAZPYHZYKD-UHFFFAOYSA-N
XLogP1.59
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine (CID 64927678) is N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine is NC1CCCCC1CNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is GQLOOAZPYHZYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-13-9-5-4-6-11(13)10-16-14-17-18-19-20(14)12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10,15H2,(H,16,17,19).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine?
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 64927678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).