N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride

C17H32ClN5 — CID 6602534

IUPACN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride
SMILESCC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1.Cl
InChIInChI=1S/C17H31N5.ClH/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15;/h13-16H,4-12H2,1-3H3;1H
InChIKeyGAUHZYXIYCQJIF-UHFFFAOYSA-N
MW341.93 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride

N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride (PubChem CID 6602534) has the molecular formula C17H32ClN5 and a molecular weight of 341.93 g/mol. Its IUPAC name is N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride
PubChem CID6602534
Molecular FormulaC17H32ClN5
Molecular Weight341.93 g/mol
Exact Mass341.23
IUPAC NameN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride
SMILESCC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1.Cl
InChIInChI=1S/C17H31N5.ClH/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15;/h13-16H,4-12H2,1-3H3;1H
InChIKeyGAUHZYXIYCQJIF-UHFFFAOYSA-N
XLogP4.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride?
The IUPAC name of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride (CID 6602534) is N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride?
The canonical SMILES for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride is CC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1.Cl.
What is the InChIKey of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride?
The InChIKey is GAUHZYXIYCQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5.ClH/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15;/h13-16H,4-12H2,1-3H3;1H.
What are the key properties of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride?
N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride has a molecular weight of 341.93 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine;hydrochloride is sourced from PubChem (CID 6602534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).