N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine

C10H18ClN5 — CID 65028310

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
SMILESCC1CCC(CCl)(Nc2nnnn2C)CC1
InChIInChI=1S/C10H18ClN5/c1-8-3-5-10(7-11,6-4-8)12-9-13-14-15-16(9)2/h8H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyPTZHVLLGPGGVAU-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine (PubChem CID 65028310) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
PubChem CID65028310
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
SMILESCC1CCC(CCl)(Nc2nnnn2C)CC1
InChIInChI=1S/C10H18ClN5/c1-8-3-5-10(7-11,6-4-8)12-9-13-14-15-16(9)2/h8H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyPTZHVLLGPGGVAU-UHFFFAOYSA-N
XLogP1.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine (CID 65028310) is N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine is CC1CCC(CCl)(Nc2nnnn2C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine?
The InChIKey is PTZHVLLGPGGVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-8-3-5-10(7-11,6-4-8)12-9-13-14-15-16(9)2/h8H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine has a molecular weight of 243.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 65028310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).