N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine

C15H22N6 — CID 115309042

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESCC1CCCCC1(CN)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H22N6/c1-12-7-5-6-10-15(12,11-16)17-14-18-19-20-21(14)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18,20)
InChIKeyCJQNRAFBIOHQPT-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine (PubChem CID 115309042) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
PubChem CID115309042
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESCC1CCCCC1(CN)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H22N6/c1-12-7-5-6-10-15(12,11-16)17-14-18-19-20-21(14)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18,20)
InChIKeyCJQNRAFBIOHQPT-UHFFFAOYSA-N
XLogP1.98
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine (CID 115309042) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine is CC1CCCCC1(CN)Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The InChIKey is CJQNRAFBIOHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-7-5-6-10-15(12,11-16)17-14-18-19-20-21(14)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10-11,16H2,1H3,(H,17,18,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 115309042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).