1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine

C11H20ClN5 — CID 107054049

IUPAC1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2nnn(C)n2)C1
InChIInChI=1S/C11H20ClN5/c1-9-4-3-5-11(6-9,8-12)13-7-10-14-16-17(2)15-10/h9,13H,3-8H2,1-2H3
InChIKeyQSWKEPITNBCJKM-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.49
Rot. Bonds4

About 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 107054049) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID107054049
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2nnn(C)n2)C1
InChIInChI=1S/C11H20ClN5/c1-9-4-3-5-11(6-9,8-12)13-7-10-14-16-17(2)15-10/h9,13H,3-8H2,1-2H3
InChIKeyQSWKEPITNBCJKM-UHFFFAOYSA-N
XLogP1.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.49
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

1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
3-methyl-1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 107042478
1-(chloromethyl)-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029964
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103015202
1-(chloromethyl)-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030476
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361
1-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029735
[4-[(2-methyltetrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297503
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 107901067

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 107054049) is 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is CC1CCCC(CCl)(NCc2nnn(C)n2)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is QSWKEPITNBCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-9-4-3-5-11(6-9,8-12)13-7-10-14-16-17(2)15-10/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 257.77 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107054049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).