4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine

C9H16ClN5 — CID 107054011

IUPAC4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCn1nnc(CNC2CCC(Cl)CC2)n1
InChIInChI=1S/C9H16ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h7-8,11H,2-6H2,1H3
InChIKeyIHOCCSQKGWUTSE-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.85
Rot. Bonds3

About 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine

4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 107054011) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID107054011
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCn1nnc(CNC2CCC(Cl)CC2)n1
InChIInChI=1S/C9H16ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h7-8,11H,2-6H2,1H3
InChIKeyIHOCCSQKGWUTSE-UHFFFAOYSA-N
XLogP0.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.85
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

3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
CID 107042690
3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
N-[2-[(2-methyltetrazol-5-yl)methyl]pentyl]cyclopropanamine
CID 107052904
5-[(2-methyltetrazol-5-yl)methylamino]piperidin-2-one
CID 107042410
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 107041521
N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
CID 107053558
N-[(2-methyltetrazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107042445
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine
CID 107054615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 107054011) is 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is Cn1nnc(CNC2CCC(Cl)CC2)n1.
What is the InChIKey of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is IHOCCSQKGWUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107054011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).