N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride

C11H22ClN5 — CID 3031891

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C11H21N5.ClH/c1-2-8-12-9-11-13-14-15-16(11)10-6-4-3-5-7-10;/h10,12H,2-9H2,1H3;1H
InChIKeyMDAQOOWDAOKIJP-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.10
Rot. Bonds5

About N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride

N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 3031891) has the molecular formula C11H22ClN5 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride
PubChem CID3031891
Molecular FormulaC11H22ClN5
Molecular Weight259.78 g/mol
Exact Mass259.16
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C11H21N5.ClH/c1-2-8-12-9-11-13-14-15-16(11)10-6-4-3-5-7-10;/h10,12H,2-9H2,1H3;1H
InChIKeyMDAQOOWDAOKIJP-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride (CID 3031891) is N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride is CCCNCc1nnnn1C1CCCCC1.Cl.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is MDAQOOWDAOKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.ClH/c1-2-8-12-9-11-13-14-15-16(11)10-6-4-3-5-7-10;/h10,12H,2-9H2,1H3;1H.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride?
N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 3031891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).