4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride

C8H16ClN5 — CID 146423214

IUPAC4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.Cn1nnnc1C1CCC(N)CC1
InChIInChI=1S/C8H15N5.ClH/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3;1H
InChIKeyLEKTZGMGIJPYMV-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.62
Rot. Bonds1

About 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride

4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 146423214) has the molecular formula C8H16ClN5 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
PubChem CID146423214
Molecular FormulaC8H16ClN5
Molecular Weight217.70 g/mol
Exact Mass217.11
IUPAC Name4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.Cn1nnnc1C1CCC(N)CC1
InChIInChI=1S/C8H15N5.ClH/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3;1H
InChIKeyLEKTZGMGIJPYMV-UHFFFAOYSA-N
XLogP0.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride (CID 146423214) is 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride is Cl.Cn1nnnc1C1CCC(N)CC1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is LEKTZGMGIJPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5.ClH/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6;/h6-7H,2-5,9H2,1H3;1H.
What are the key properties of 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride?
4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 146423214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).