1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C11H20ClN5 — CID 107054065

IUPAC1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CCCCC2CCl)n1
InChIInChI=1S/C11H20ClN5/c1-17-15-11(14-16-17)8-13-7-10-5-3-2-4-9(10)6-12/h9-10,13H,2-8H2,1H3
InChIKeyGADRGESQAKMBOC-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 107054065) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID107054065
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CCCCC2CCl)n1
InChIInChI=1S/C11H20ClN5/c1-17-15-11(14-16-17)8-13-7-10-5-3-2-4-9(10)6-12/h9-10,13H,2-8H2,1H3
InChIKeyGADRGESQAKMBOC-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042718
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
CID 107053953
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 107054065) is 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cn1nnc(CNCC2CCCCC2CCl)n1.
What is the InChIKey of 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is GADRGESQAKMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-17-15-11(14-16-17)8-13-7-10-5-3-2-4-9(10)6-12/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 257.77 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107054065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).