1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine

C14H18ClN5 — CID 4652321

IUPAC1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H18ClN5/c1-16-14(9-3-2-4-10-14)13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,16H,2-4,9-10H2,1H3
InChIKeyZRPAYXOSMPLXRN-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine

1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 4652321) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID4652321
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H18ClN5/c1-16-14(9-3-2-4-10-14)13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,16H,2-4,9-10H2,1H3
InChIKeyZRPAYXOSMPLXRN-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine (CID 4652321) is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine is CNC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is ZRPAYXOSMPLXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-16-14(9-3-2-4-10-14)13-17-18-19-20(13)12-7-5-11(15)6-8-12/h5-8,16H,2-4,9-10H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 291.79 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 4652321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).