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

C9H16FN5 — CID 107061495

IUPAC4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCn1nnc(CC2(F)CCC(N)CC2)n1
InChIInChI=1S/C9H16FN5/c1-15-13-8(12-14-15)6-9(10)4-2-7(11)3-5-9/h7H,2-6,11H2,1H3
InChIKeyMSPRGULQOJZFFJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.36
Rot. Bonds2

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

4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 107061495) has the molecular formula C9H16FN5 and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID107061495
Molecular FormulaC9H16FN5
Molecular Weight213.26 g/mol
Exact Mass213.14
IUPAC Name4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCn1nnc(CC2(F)CCC(N)CC2)n1
InChIInChI=1S/C9H16FN5/c1-15-13-8(12-14-15)6-9(10)4-2-7(11)3-5-9/h7H,2-6,11H2,1H3
InChIKeyMSPRGULQOJZFFJ-UHFFFAOYSA-N
XLogP0.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 107061495) is 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is Cn1nnc(CC2(F)CCC(N)CC2)n1.
What is the InChIKey of 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is MSPRGULQOJZFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5/c1-15-13-8(12-14-15)6-9(10)4-2-7(11)3-5-9/h7H,2-6,11H2,1H3.
What are the key properties of 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine?
4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 213.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107061495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).